| 6dz2_ligand |
| RDKit 3D |
|
|
| 65 69 0 0 0 0 0 0 0 0999 V2000 |
| -1.9683 2.1795 1.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1335 0.7858 1.9258 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.4968 0.3560 1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2582 0.4051 -0.1056 N 0 0 2 0 0 4 0 0 0 0 0 0 |
| -4.2663 -0.3107 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5879 0.3617 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6356 0.1361 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6414 -0.6786 1.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8037 -0.6317 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8924 0.1105 1.4619 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8687 0.9147 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9940 1.6677 0.0984 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7092 0.9381 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3360 1.6581 -1.4741 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0493 1.3258 -1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8199 0.0069 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1521 0.0021 1.0550 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.9077 -1.4411 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1159 -1.5759 3.1519 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5045 -0.7648 2.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2467 -1.2524 1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6425 -0.6268 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2815 -0.8421 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9343 -1.8926 -0.5944 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6474 -1.8119 -1.7083 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4666 -0.7464 -1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2411 -0.0849 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3334 -0.3957 -2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5649 0.3718 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6921 -0.3012 -1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8278 0.4121 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.8483 1.8023 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7330 2.4819 -2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5975 1.7724 -2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3635 2.5556 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0417 0.6389 3.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7691 -0.6669 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2947 1.0648 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3199 1.4087 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8634 -0.3307 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3270 -1.3440 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8752 -1.2649 2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2328 1.7147 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.7630 1.3562 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9185 2.3521 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5879 1.8018 -2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7914 -0.9691 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3866 0.7682 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1942 0.5283 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8556 -1.9859 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3041 -1.9873 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3435 0.3185 2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1105 -0.9626 3.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3410 -2.3457 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6859 -0.9875 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5665 0.4527 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2876 -1.0393 2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7747 0.8095 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6250 -1.3264 -3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7226 0.1837 -3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6965 -1.3869 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7015 -0.1160 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7352 2.3557 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7529 3.5667 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7391 2.3231 -2.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 17 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 4 16 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 6 15 2 0 |
| 7 8 2 0 |
| 7 13 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 11 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 23 27 2 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 1 0 |
| 26 28 1 0 |
| 28 29 1 0 |
| 29 30 2 0 |
| 29 34 1 0 |
| 30 31 1 0 |
| 31 32 2 0 |
| 32 33 1 0 |
| 33 34 2 0 |
| 1 35 1 0 |
| 2 36 1 1 |
| 3 37 1 0 |
| 3 38 1 0 |
| 4 39 1 6 |
| 5 40 1 0 |
| 5 41 1 0 |
| 9 42 1 0 |
| 12 43 1 0 |
| 12 44 1 0 |
| 14 45 1 0 |
| 15 46 1 0 |
| 16 47 1 0 |
| 16 48 1 0 |
| 17 49 1 6 |
| 18 50 1 0 |
| 18 51 1 0 |
| 20 52 1 0 |
| 20 53 1 0 |
| 21 54 1 0 |
| 21 55 1 0 |
| 22 56 1 0 |
| 22 57 1 0 |
| 27 58 1 0 |
| 28 59 1 0 |
| 28 60 1 0 |
| 30 61 1 0 |
| 31 62 1 0 |
| 32 63 1 0 |
| 33 64 1 0 |
| 34 65 1 0 |
| M CHG 1 4 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
