| 6ZAE_ACV_A_403 |
| RDKit 3D |
|
|
| 49 48 0 0 0 0 0 0 0 0999 V2000 |
| 6.5111 -0.5686 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6289 0.6123 1.5659 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.2199 1.5149 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1710 0.9144 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8063 0.7104 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7473 0.2723 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5123 0.0962 -0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6245 -0.4088 -1.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.9203 -0.0597 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3757 1.4331 2.5488 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9524 0.0907 -2.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5387 -1.9181 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3613 -2.9593 0.1355 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9271 0.2525 0.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1307 -1.1636 2.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6567 -1.0197 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0705 -0.1692 -1.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4005 0.0950 -0.5073 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.3022 0.5035 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9231 -1.1264 0.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.1683 -2.3532 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1846 -0.7962 1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1154 0.2182 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3650 1.2423 -1.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7517 0.1923 2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8210 2.4639 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1089 1.7693 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5240 -0.0333 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0572 1.5983 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4710 1.6458 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8689 -0.0575 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3914 0.1750 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6426 0.1293 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7284 2.0507 3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7574 0.7972 3.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3242 -2.1318 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4314 -2.2610 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4706 -2.5387 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6575 -1.8728 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0259 -0.3455 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2961 0.9615 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1523 -1.4093 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4615 -3.2135 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2639 -2.6344 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9684 -2.1758 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0301 0.0890 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0448 -0.6128 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4461 -1.6288 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8354 1.4364 -2.1447 H 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 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 2 10 1 0 |
| 6 11 2 0 |
| 8 12 1 0 |
| 12 13 1 0 |
| 9 14 2 0 |
| 1 15 1 0 |
| 1 16 2 0 |
| 9 17 1 0 |
| 18 17 1 0 |
| 18 19 1 0 |
| 18 20 1 0 |
| 20 21 1 0 |
| 20 22 1 0 |
| 19 23 2 0 |
| 19 24 1 0 |
| 2 25 1 1 |
| 3 26 1 0 |
| 3 27 1 0 |
| 4 28 1 0 |
| 4 29 1 0 |
| 5 30 1 0 |
| 5 31 1 0 |
| 7 32 1 0 |
| 8 33 1 6 |
| 10 34 1 0 |
| 10 35 1 0 |
| 12 36 1 0 |
| 12 37 1 0 |
| 13 38 1 0 |
| 15 39 1 0 |
| 17 40 1 0 |
| 18 41 1 1 |
| 20 42 1 6 |
| 21 43 1 0 |
| 21 44 1 0 |
| 21 45 1 0 |
| 22 46 1 0 |
| 22 47 1 0 |
| 22 48 1 0 |
| 24 49 1 0 |
| M END |
| $$$$ |
|
|
