|
|
| RDKit 3D |
|
|
| 38 43 0 0 0 0 0 0 0 0999 V2000 |
| -5.0685 -4.7520 1.8068 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4987 -3.4157 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3721 -2.3950 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8086 -2.3795 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4139 -3.7926 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5792 -4.7568 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7015 -1.4415 0.5422 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6439 -0.3263 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4176 0.2605 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9919 1.5621 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1845 2.2313 -1.1515 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0556 1.3671 -1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6961 0.2448 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7498 3.3704 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9321 3.6689 -0.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8785 4.1619 0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3446 5.4027 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7724 -0.6078 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5818 -1.6205 1.2726 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4662 -0.3831 1.4598 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6386 -0.6890 2.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4967 0.3890 3.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8894 0.3654 2.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8593 0.2006 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0531 0.4035 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1125 0.2188 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9670 -0.2153 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7763 -0.4158 -0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6877 -0.2000 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9637 -0.4694 -2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9018 -1.2240 -3.2579 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8805 0.6838 -3.5686 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3756 0.4557 -1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5796 1.3905 -2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9018 1.3105 -2.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5774 0.3934 -1.9469 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6496 -0.1152 -1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5981 2.0894 -3.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 4 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 11 14 1 0 |
| 14 15 2 0 |
| 14 16 1 0 |
| 16 17 1 0 |
| 9 18 1 0 |
| 18 19 2 0 |
| 18 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 2 0 |
| 27 28 1 0 |
| 28 29 2 0 |
| 27 30 1 0 |
| 30 31 1 0 |
| 30 32 1 0 |
| 26 33 1 0 |
| 33 34 2 0 |
| 34 35 1 0 |
| 35 36 1 0 |
| 36 37 2 0 |
| 35 38 1 0 |
| 6 1 1 0 |
| 19 7 1 0 |
| 13 8 1 0 |
| 29 20 1 0 |
| 29 24 1 0 |
| 37 33 1 0 |
| M END |
| $$$$ |
|
|
