Add batch 26
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- 6qr1/6qr1_input_conf_0.sdf +38 -38
- 6qr1/6qr1_input_conf_1.sdf +38 -38
- 6qr1/6qr1_input_conf_2.sdf +38 -38
- 6qr1/6qr1_input_conf_3.sdf +38 -38
- 6qr1/6qr1_input_conf_4.sdf +38 -38
- 6qr1/6qr1_input_conf_5.sdf +38 -38
- 6qr1/6qr1_input_conf_6.sdf +38 -38
- 6qr1/6qr1_input_conf_7.sdf +38 -38
- 6qr1/6qr1_input_conf_8.sdf +38 -38
- 6qr1/6qr1_input_conf_9.sdf +38 -38
- 6qr2/6qr2_input_conf_0.sdf +39 -39
- 6qr2/6qr2_input_conf_1.sdf +39 -39
- 6qr2/6qr2_input_conf_2.sdf +39 -39
- 6qr2/6qr2_input_conf_3.sdf +39 -39
- 6qr2/6qr2_input_conf_4.sdf +39 -39
- 6qr2/6qr2_input_conf_5.sdf +39 -39
- 6qr2/6qr2_input_conf_6.sdf +39 -39
- 6qr2/6qr2_input_conf_7.sdf +39 -39
- 6qr2/6qr2_input_conf_8.sdf +39 -39
- 6qr2/6qr2_input_conf_9.sdf +39 -39
- 6qr3/6qr3_input_conf_0.sdf +48 -48
- 6qr3/6qr3_input_conf_1.sdf +50 -50
- 6qr3/6qr3_input_conf_2.sdf +50 -50
- 6qr3/6qr3_input_conf_3.sdf +50 -50
- 6qr3/6qr3_input_conf_4.sdf +50 -50
- 6qr3/6qr3_input_conf_5.sdf +49 -49
- 6qr3/6qr3_input_conf_6.sdf +49 -49
- 6qr3/6qr3_input_conf_7.sdf +48 -48
- 6qr3/6qr3_input_conf_8.sdf +48 -48
- 6qr3/6qr3_input_conf_9.sdf +48 -48
- 6qr4/6qr4_input_conf_0.sdf +48 -48
- 6qr4/6qr4_input_conf_1.sdf +49 -49
- 6qr4/6qr4_input_conf_2.sdf +49 -49
- 6qr4/6qr4_input_conf_3.sdf +49 -49
- 6qr4/6qr4_input_conf_4.sdf +49 -49
- 6qr4/6qr4_input_conf_5.sdf +50 -50
- 6qr4/6qr4_input_conf_6.sdf +48 -48
- 6qr4/6qr4_input_conf_7.sdf +49 -49
- 6qr4/6qr4_input_conf_8.sdf +50 -50
- 6qr4/6qr4_input_conf_9.sdf +49 -49
- 6qr7/6qr7_input_conf_0.sdf +58 -58
- 6qr7/6qr7_input_conf_1.sdf +58 -58
- 6qr7/6qr7_input_conf_2.sdf +58 -58
- 6qr7/6qr7_input_conf_3.sdf +58 -58
- 6qr7/6qr7_input_conf_4.sdf +58 -58
- 6qr7/6qr7_input_conf_5.sdf +58 -58
- 6qr7/6qr7_input_conf_6.sdf +58 -58
- 6qr7/6qr7_input_conf_7.sdf +58 -58
- 6qr7/6qr7_input_conf_8.sdf +58 -58
- 6qr7/6qr7_input_conf_9.sdf +58 -58
6qr1/6qr1_input_conf_0.sdf
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6qr1/6qr1_input_conf_1.sdf
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6qr1/6qr1_input_conf_2.sdf
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6qr1/6qr1_input_conf_3.sdf
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CHANGED
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| 2 |
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| 3 |
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| 4 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 18 |
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| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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-
|
| 26 |
-
-
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 17 |
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| 18 |
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| 19 |
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| 21 |
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CHANGED
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| 18 |
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| 22 |
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| 23 |
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| 24 |
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| 28 |
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| 42 |
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| 43 |
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| 44 |
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| 46 |
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6qr3/6qr3_input_conf_1.sdf
CHANGED
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| 2 |
RDKit 3D
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| 3 |
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| 4 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
-
|
| 12 |
-
-3.
|
| 13 |
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-
|
| 14 |
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-
|
| 15 |
-
-
|
| 16 |
-
-
|
| 17 |
-
-
|
| 18 |
-
-2.
|
| 19 |
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-
|
| 20 |
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-
|
| 21 |
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| 22 |
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2.
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| 23 |
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|
| 24 |
-
|
| 25 |
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| 26 |
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|
| 27 |
-
|
| 28 |
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| 29 |
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|
| 30 |
-
|
| 31 |
-
|
| 32 |
-
|
| 33 |
-
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| 34 |
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|
| 35 |
-
-
|
| 36 |
-
-
|
| 37 |
-
-2.
|
| 38 |
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-
|
| 39 |
-
-
|
| 40 |
-
-
|
| 41 |
-
-3.
|
| 42 |
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|
| 43 |
-
-
|
| 44 |
-
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| 28 |
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CHANGED
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| 14 |
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| 15 |
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| 23 |
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| 24 |
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| 29 |
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| 32 |
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| 33 |
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| 34 |
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CHANGED
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| 20 |
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| 21 |
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| 25 |
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| 38 |
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| 39 |
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| 42 |
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| 44 |
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| 45 |
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CHANGED
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 41 |
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| 42 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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CHANGED
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| 2 |
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| 3 |
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| 4 |
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| 7 |
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| 8 |
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4.
|
| 9 |
-
|
| 10 |
-
|
| 11 |
-
|
| 12 |
-
-4.
|
| 13 |
-
-3.
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-
-2.
|
| 15 |
-
-
|
| 16 |
-
-
|
| 17 |
-
-
|
| 18 |
-
-1.
|
| 19 |
-
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|
| 20 |
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|
| 21 |
-
1.
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| 22 |
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|
| 23 |
-
3.
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| 24 |
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|
| 25 |
-
|
| 26 |
-
|
| 27 |
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|
| 28 |
-
|
| 29 |
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-
|
| 30 |
-
|
| 31 |
-
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| 32 |
-
|
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-
-
|
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-
-4.
|
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-
-4.
|
| 36 |
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-
|
| 37 |
-
-
|
| 38 |
-
-
|
| 39 |
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-
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| 40 |
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|
| 41 |
-
-
|
| 42 |
-
-
|
| 43 |
-
-2.
|
| 44 |
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-
|
| 45 |
-
-
|
| 46 |
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| 15 |
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| 16 |
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| 17 |
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| 23 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 10 |
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| 11 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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| 18 |
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| 19 |
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| 22 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 95 |
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CHANGED
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| 2 |
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| 3 |
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| 4 |
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| 9 |
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| 10 |
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| 11 |
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| 13 |
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|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
-
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|
| 25 |
-
-2.
|
| 26 |
-
-
|
| 27 |
-
-
|
| 28 |
-
|
| 29 |
-
1.
|
| 30 |
-
1.
|
| 31 |
-
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|
| 32 |
-
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|
| 33 |
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-
|
| 34 |
-
-
|
| 35 |
-
-1.
|
| 36 |
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-
|
| 37 |
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-
|
| 38 |
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-
|
| 39 |
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-
|
| 40 |
-
-
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 11 |
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| 12 |
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| 14 |
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| 15 |
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|
| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 23 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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| 32 |
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| 33 |
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| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 44 |
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CHANGED
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| 4 |
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| 16 |
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|
| 39 |
+
-4.0720 1.4508 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-3.2625 0.0719 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
7.3478 1.2358 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
6.8194 1.8200 1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
4.2596 1.7468 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
1.1253 -0.7315 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
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3.1290 0.9665 -2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
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-1.2097 -1.3720 -4.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
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|
| 48 |
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-2.2920 0.5582 3.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-1.3461 1.9380 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-3.0255 2.5237 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-3.8252 2.3192 2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-4.1550 -0.8117 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
+
23 48 1 6
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
6qr4/6qr4_input_conf_5.sdf
CHANGED
|
@@ -2,54 +2,54 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
1.
|
| 6 |
-
-1.
|
| 7 |
-
-1.
|
| 8 |
-
-
|
| 9 |
-
-
|
| 10 |
-
-
|
| 11 |
-
|
| 12 |
-
5.
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
-
0.
|
| 21 |
-
2.
|
| 22 |
-
-
|
| 23 |
-
-0.
|
| 24 |
-
-
|
| 25 |
-
-3.
|
| 26 |
-
-3.
|
| 27 |
-
-
|
| 28 |
-
|
| 29 |
-
|
| 30 |
-
|
| 31 |
-
-2.
|
| 32 |
-
-0.
|
| 33 |
-
-
|
| 34 |
-
-
|
| 35 |
-
-
|
| 36 |
-
-1.
|
| 37 |
-
-
|
| 38 |
-
-
|
| 39 |
-
-
|
| 40 |
-
-
|
| 41 |
-
6.
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
1.
|
| 45 |
-
3.
|
| 46 |
-
-
|
| 47 |
-
-
|
| 48 |
-
-
|
| 49 |
-
-
|
| 50 |
-
-
|
| 51 |
-
-
|
| 52 |
-
-
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
@@ -95,12 +95,12 @@
|
|
| 95 |
14 40 1 0
|
| 96 |
17 41 1 0
|
| 97 |
18 42 1 0
|
| 98 |
-
20 43 1
|
| 99 |
21 44 1 0
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
-
23 48 1
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
|
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
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| 5 |
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| 6 |
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| 10 |
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| 11 |
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2.6487 0.8513 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 12 |
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5.7000 1.5646 1.6510 N 0 0 0 0 0 0 0 0 0 0 0 0
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| 13 |
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5.0561 1.1138 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 14 |
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5.7199 0.8835 -0.6210 N 0 0 0 0 0 0 0 0 0 0 0 0
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| 15 |
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4.9306 0.4502 -1.6178 N 0 0 0 0 0 0 0 0 0 0 0 0
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| 16 |
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3.7082 0.3609 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 17 |
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2.5504 -0.0864 -1.8593 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 18 |
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1.4687 -0.7146 -1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 19 |
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0.3067 -0.9805 -1.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 20 |
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0.2331 -0.7555 -3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4903 0.1415 -3.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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-1.2175 0.0189 1.8636 N 0 0 1 0 0 4 0 0 0 0 0 0
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| 28 |
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3.7453 0.7837 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 29 |
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1.6869 0.8221 1.8655 N 0 0 0 0 0 0 0 0 0 0 0 0
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| 30 |
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1.3351 -0.0268 -5.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 31 |
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-2.7615 -1.9770 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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-1.0190 2.1180 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 37 |
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-1.1643 1.4889 3.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 38 |
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-1.1007 -1.9963 2.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 39 |
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-2.6419 -1.1658 2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 40 |
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-1.1337 -0.7855 3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 41 |
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6.6756 1.8617 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 42 |
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5.2143 1.8436 2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 43 |
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6.7083 1.0069 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 44 |
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1.5168 -0.9949 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 45 |
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3.3341 0.6006 -3.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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-3.2268 2.2116 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 50 |
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-3.5730 0.9879 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 51 |
+
-3.2695 2.6740 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-0.1788 0.0444 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 95 |
14 40 1 0
|
| 96 |
17 41 1 0
|
| 97 |
18 42 1 0
|
| 98 |
+
20 43 1 6
|
| 99 |
21 44 1 0
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
+
23 48 1 6
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
6qr4/6qr4_input_conf_6.sdf
CHANGED
|
@@ -2,54 +2,54 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
|
| 6 |
-
-1.
|
| 7 |
-
-
|
| 8 |
-
-
|
| 9 |
-
-
|
| 10 |
-
-
|
| 11 |
-
5.
|
| 12 |
-
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
-
0.
|
| 21 |
-
2.
|
| 22 |
-
-0.
|
| 23 |
-
-1.
|
| 24 |
-
-2.
|
| 25 |
-
-
|
| 26 |
-
-
|
| 27 |
-
-
|
| 28 |
-
4.
|
| 29 |
-
6.
|
| 30 |
-
|
| 31 |
-
-2.
|
| 32 |
-
-1.
|
| 33 |
-
-2.
|
| 34 |
-
-
|
| 35 |
-
-
|
| 36 |
-
-
|
| 37 |
-
-
|
| 38 |
-
-
|
| 39 |
-
-
|
| 40 |
-
-2.
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
0.
|
| 45 |
-
3.
|
| 46 |
-
-0.
|
| 47 |
-
-3.
|
| 48 |
-
-
|
| 49 |
-
-
|
| 50 |
-
-4.
|
| 51 |
-
-3.
|
| 52 |
-
-1.
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
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| 5 |
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5.5265 0.3930 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6335 1.6030 0.8924 N 0 0 0 0 0 0 0 0 0 0 0 0
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5.4004 1.1465 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3815 1.1812 1.5028 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.2097 0.7150 1.0341 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.4897 0.3195 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 17 |
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2.4429 -0.2801 -1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1230 0.1926 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1182 -0.3891 -1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4010 -1.4148 -2.6428 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 24 |
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6.0763 0.2089 -2.7867 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.9679 -2.6865 -3.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 53 |
16 1 2 0
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| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
6qr4/6qr4_input_conf_7.sdf
CHANGED
|
@@ -2,54 +2,54 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
|
| 6 |
-
-1.
|
| 7 |
-
-1.
|
| 8 |
-
-
|
| 9 |
-
-
|
| 10 |
-
-
|
| 11 |
-
|
| 12 |
-
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
-
0.
|
| 21 |
-
2.
|
| 22 |
-
-0.
|
| 23 |
-
-1.
|
| 24 |
-
-
|
| 25 |
-
-2.
|
| 26 |
-
-3.
|
| 27 |
-
-
|
| 28 |
-
4.
|
| 29 |
-
|
| 30 |
-
|
| 31 |
-
-2.
|
| 32 |
-
-1.
|
| 33 |
-
-2.
|
| 34 |
-
-1.
|
| 35 |
-
-
|
| 36 |
-
-
|
| 37 |
-
-
|
| 38 |
-
-4.
|
| 39 |
-
-
|
| 40 |
-
-
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
0.
|
| 45 |
-
3.
|
| 46 |
-
-
|
| 47 |
-
-
|
| 48 |
-
-
|
| 49 |
-
-
|
| 50 |
-
-4.
|
| 51 |
-
-
|
| 52 |
-
-
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
@@ -100,7 +100,7 @@
|
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
-
23 48 1
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
|
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
1.7056 -2.6808 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3039 2.3843 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.0685 2.3219 0.8775 N 0 0 0 0 0 0 0 0 0 0 0 0
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5.2900 1.3070 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.6463 0.0005 0.6352 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.7771 -0.1270 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 17 |
+
2.6192 -0.7704 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 18 |
+
1.3614 -0.1436 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 19 |
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0.2951 -0.7936 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 20 |
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0.4532 -2.0467 -2.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 21 |
+
2.7694 -2.0369 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
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-0.7895 -2.3939 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
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-1.0175 -0.4157 -1.9298 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
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-1.8034 0.7702 0.1203 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-2.4878 2.0420 2.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
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-3.1590 0.7851 2.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-2.5924 -0.4388 0.6377 N 0 0 1 0 0 4 0 0 0 0 0 0
|
| 28 |
+
4.0779 1.2584 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
2.6043 3.2638 -0.8998 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
1.8608 -3.6550 -2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-2.6919 -1.2335 -3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
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| 32 |
+
-1.0049 1.6327 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-2.6056 0.9248 -1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-1.8409 2.9211 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-3.4396 2.1991 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-3.1190 -1.3807 2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-1.5173 -0.6136 2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-4.6019 0.2294 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-4.3920 -1.5468 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-3.9194 -0.7390 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
5.8904 3.2843 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
7.0364 2.1871 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
6.4802 -0.3546 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
1.2060 0.8292 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
3.7359 -2.5402 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-1.0026 -3.2917 -3.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-0.8109 0.6587 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-1.4661 2.1027 2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-3.0181 2.9312 2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-4.2351 0.8290 2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-3.0542 0.7638 3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-2.0623 -1.2701 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
+
23 48 1 6
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
6qr4/6qr4_input_conf_8.sdf
CHANGED
|
@@ -2,54 +2,54 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
1.
|
| 6 |
-
-1.
|
| 7 |
-
-1.
|
| 8 |
-
-
|
| 9 |
-
-
|
| 10 |
-
-2.
|
| 11 |
-
|
| 12 |
-
6.
|
| 13 |
-
5.
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
-
0.
|
| 21 |
-
2.
|
| 22 |
-
-
|
| 23 |
-
-
|
| 24 |
-
-
|
| 25 |
-
-
|
| 26 |
-
-
|
| 27 |
-
-2.
|
| 28 |
-
|
| 29 |
-
|
| 30 |
-
1.
|
| 31 |
-
-2.
|
| 32 |
-
-0.
|
| 33 |
-
-2.
|
| 34 |
-
-
|
| 35 |
-
-
|
| 36 |
-
-
|
| 37 |
-
-
|
| 38 |
-
-
|
| 39 |
-
-3.
|
| 40 |
-
-
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
1.
|
| 45 |
-
3.
|
| 46 |
-
-
|
| 47 |
-
-0.
|
| 48 |
-
-
|
| 49 |
-
-
|
| 50 |
-
-4.
|
| 51 |
-
-
|
| 52 |
-
-3.
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
@@ -95,12 +95,12 @@
|
|
| 95 |
14 40 1 0
|
| 96 |
17 41 1 0
|
| 97 |
18 42 1 0
|
| 98 |
-
20 43 1
|
| 99 |
21 44 1 0
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
-
23 48 1
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
|
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
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1.5564 -2.1322 -3.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 6 |
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-1.8819 -0.9655 -2.7296 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 7 |
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| 8 |
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| 9 |
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-3.2262 1.0093 2.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-2.3893 2.7881 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
2.9358 1.1119 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
6.0299 1.6465 1.2993 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
5.3008 1.0244 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
5.8829 0.5055 -0.7744 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
5.0182 -0.0892 -1.6106 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
3.8153 0.0659 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
2.6028 -0.4664 -1.6739 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
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1.3470 0.1245 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
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0.2056 -0.4550 -2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
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0.2929 -1.5670 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
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2.6921 -1.5814 -2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
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-1.0249 -1.8685 -3.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
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-1.1335 -0.1373 -1.9361 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-2.2738 0.3207 0.2373 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-1.9487 -1.1311 2.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-3.2774 -0.4977 2.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-2.9973 1.4054 1.0838 N 0 0 1 0 0 4 0 0 0 0 0 0
|
| 28 |
+
3.9563 0.7582 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
2.0553 1.4066 1.8428 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
1.6586 -2.9933 -3.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-2.9561 -0.8638 -2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
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-0.9070 1.6300 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
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-2.4749 1.3939 -1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
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-0.6708 -1.1275 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-0.5490 0.3333 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-2.4058 1.4267 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-4.1672 1.4776 2.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-1.3455 2.7226 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-2.4782 3.1692 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-2.9623 3.4337 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
5.6299 1.9134 2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
7.0489 1.6294 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
6.8640 0.5221 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
1.2497 1.0204 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
3.6609 -2.0406 -2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-1.3106 -2.6634 -3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-3.0685 -0.3882 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-1.2682 -1.1550 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-2.1276 -2.1765 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-4.0876 -0.9050 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-3.5116 -0.7677 3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-3.9363 1.4935 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 95 |
14 40 1 0
|
| 96 |
17 41 1 0
|
| 97 |
18 42 1 0
|
| 98 |
+
20 43 1 6
|
| 99 |
21 44 1 0
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
+
23 48 1 6
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
6qr4/6qr4_input_conf_9.sdf
CHANGED
|
@@ -2,54 +2,54 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
|
| 6 |
-
-1.
|
| 7 |
-
-
|
| 8 |
-
-2.
|
| 9 |
-
-3.
|
| 10 |
-
-1.
|
| 11 |
-
|
| 12 |
-
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
3.
|
| 17 |
-
2.
|
| 18 |
-
1.
|
| 19 |
-
0.
|
| 20 |
-
0.
|
| 21 |
-
|
| 22 |
-
-0.
|
| 23 |
-
-
|
| 24 |
-
-1.
|
| 25 |
-
-
|
| 26 |
-
-
|
| 27 |
-
-2.
|
| 28 |
-
|
| 29 |
-
1.
|
| 30 |
-
|
| 31 |
-
-
|
| 32 |
-
-1.
|
| 33 |
-
-
|
| 34 |
-
-
|
| 35 |
-
-1.
|
| 36 |
-
-4.
|
| 37 |
-
-4.
|
| 38 |
-
-
|
| 39 |
-
-
|
| 40 |
-
-
|
| 41 |
-
|
| 42 |
-
|
| 43 |
-
|
| 44 |
-
0.
|
| 45 |
-
|
| 46 |
-
-
|
| 47 |
-
-0.
|
| 48 |
-
-
|
| 49 |
-
-1.
|
| 50 |
-
-4.
|
| 51 |
-
-
|
| 52 |
-
-1.
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
@@ -100,7 +100,7 @@
|
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
-
23 48 1
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
|
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
48 51 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
1.6267 -1.3324 -3.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-1.9476 -0.9393 -2.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-2.0610 0.6756 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
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-2.3772 1.3651 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-3.8372 -1.1478 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-1.6760 -2.2519 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
5.3449 -0.7146 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
6.6229 1.8487 0.7728 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
5.3984 1.6639 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
4.4672 2.6649 0.2139 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
3.2845 2.2987 -0.3109 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
3.4759 1.0280 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
2.3952 0.2965 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
1.0605 0.5630 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
0.0268 -0.1483 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
0.2915 -1.0827 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
2.6634 -0.6417 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-0.9584 -1.5709 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-1.3427 -0.1199 -1.4983 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-1.7839 0.3078 0.9601 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-3.9036 1.3252 1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-4.4160 -0.0678 2.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-2.3325 -1.0502 1.4187 N 0 0 1 0 0 4 0 0 0 0 0 0
|
| 28 |
+
4.7793 0.5819 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
5.7864 -1.7791 -0.6508 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
1.8590 -2.0426 -3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-3.0249 -1.0165 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-1.7620 1.7150 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-3.1280 0.6121 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-2.0451 2.3669 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-1.9852 1.1992 2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-4.1781 -1.0517 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-4.1056 -2.1413 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-2.1247 -2.4336 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-1.8651 -3.1070 1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-0.6009 -2.0703 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
7.3590 1.1502 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
7.0027 2.7695 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
4.5712 3.6114 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
0.8490 1.3242 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
3.6808 -0.8389 -2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-1.1134 -2.2861 -3.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-0.7065 0.2575 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-4.2634 2.0455 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-4.3199 1.6375 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-4.1574 -0.2912 3.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-5.5099 -0.0846 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-2.0547 -1.1228 2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
16 1 2 0
|
| 54 |
1 17 1 0
|
| 55 |
2 18 2 0
|
|
|
|
| 100 |
21 45 1 0
|
| 101 |
22 46 1 0
|
| 102 |
22 47 1 0
|
| 103 |
+
23 48 1 1
|
| 104 |
M CHG 1 23 1
|
| 105 |
M END
|
| 106 |
> <_TriposChargeType> (1)
|
6qr7/6qr7_input_conf_0.sdf
CHANGED
|
@@ -2,64 +2,64 @@
|
|
| 2 |
RDKit 3D
|
| 3 |
|
| 4 |
58 62 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
-
|
| 6 |
-
|
| 7 |
-
0.
|
| 8 |
-
-
|
| 9 |
-
-
|
| 10 |
-
-5.
|
| 11 |
-
-7.
|
| 12 |
-
-5.
|
| 13 |
-
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
|
| 17 |
-
|
| 18 |
-
4.
|
| 19 |
-
4.
|
| 20 |
-
3.
|
| 21 |
-
|
| 22 |
-
|
| 23 |
-
|
| 24 |
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| 25 |
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|
| 26 |
-
-0.
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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| 31 |
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|
| 32 |
-
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
-
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| 42 |
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| 43 |
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| 44 |
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|
| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 54 |
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| 58 |
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| 18 |
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| 19 |
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| 23 |
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| 24 |
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| 25 |
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| 28 |
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| 32 |
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| 33 |
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| 34 |
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| 37 |
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| 39 |
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| 40 |
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| 42 |
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CHANGED
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| 2 |
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| 4 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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| 12 |
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| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 49 |
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| 50 |
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| 53 |
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CHANGED
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| 12 |
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-5.
|
| 13 |
-
-0.
|
| 14 |
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| 15 |
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|
| 16 |
-
|
| 17 |
-
|
| 18 |
-
|
| 19 |
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|
| 20 |
-
|
| 21 |
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2.
|
| 22 |
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|
| 23 |
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|
| 24 |
-
|
| 25 |
-
|
| 26 |
-
-0.
|
| 27 |
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|
| 28 |
-
-2.
|
| 29 |
-
-4.
|
| 30 |
-
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|
| 31 |
-
-6.
|
| 32 |
-
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|
| 33 |
-
|
| 34 |
-
|
| 35 |
-
|
| 36 |
-
5.
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| 37 |
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|
| 38 |
-
0.
|
| 39 |
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|
| 40 |
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-
|
| 41 |
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-3.
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| 42 |
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| 43 |
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| 44 |
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|
| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 9 |
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| 11 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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| 33 |
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| 34 |
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| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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1.
|
| 39 |
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|
| 40 |
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| 41 |
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|
| 42 |
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-3.
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 49 |
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| 50 |
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| 55 |
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CHANGED
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| 4 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
-
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|
| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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| 17 |
-
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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|
| 23 |
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| 24 |
-
|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
-
-
|
| 29 |
-
-
|
| 30 |
-
-
|
| 31 |
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-
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| 32 |
-
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|
| 33 |
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4.
|
| 34 |
-
3.
|
| 35 |
-
|
| 36 |
-
|
| 37 |
-
1.
|
| 38 |
-
2.
|
| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
-
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|
| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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| 49 |
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|
| 50 |
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| 54 |
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| 55 |
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