| 6YJA_2BA_B_201 |
| RDKit 3D |
|
|
| 68 74 0 0 0 0 0 0 0 0999 V2000 |
| -0.3196 1.2588 2.2504 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.3287 2.3936 2.9636 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9191 0.2055 3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6443 0.3191 1.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0547 0.4553 1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6932 0.8877 0.0505 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.1038 1.0405 0.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5664 -0.1101 -1.1349 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.5256 0.1030 -2.1177 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9170 -0.0293 -1.8442 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.8177 0.4911 -3.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7693 0.8930 -0.9722 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.1241 0.4007 -0.7966 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1047 0.5270 -1.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2532 0.0171 -1.3626 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0029 -0.4600 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8329 -1.0865 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1793 -1.3473 0.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2914 -1.4673 2.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9759 -1.2312 2.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0842 -0.6542 1.4182 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6726 -0.2670 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0861 0.3841 -1.4839 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0541 1.6524 -0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1411 -1.0109 -0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1076 0.2856 -2.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4439 0.3001 -1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7008 1.2183 -0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.1149 1.5309 -0.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3226 0.6246 0.6328 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.6500 1.6115 1.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6589 0.2514 1.2526 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.6680 0.2988 2.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6027 1.2644 0.6196 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.9685 0.7915 0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0116 1.2466 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1506 0.6736 0.9617 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8187 -0.2145 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5891 -1.1054 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9641 -1.2373 -0.6589 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9674 -1.8449 -1.7488 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6281 -1.7240 -1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7849 -0.9197 -1.1968 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4600 -0.1735 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3921 0.2526 4.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4645 -0.5188 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3621 1.1436 2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3161 1.8748 -0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4468 -1.1234 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3501 -1.0337 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8717 0.4668 -3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8619 1.8922 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9177 0.9929 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5391 -2.0457 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.4139 -1.4649 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5908 -1.5399 3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1529 -1.7582 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7244 -0.7311 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1030 0.6155 -2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2080 2.1866 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7103 -0.2681 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9213 -0.7673 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7524 0.1342 2.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6109 2.2141 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8908 1.9913 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4160 -1.6537 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4069 -0.4377 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1696 -2.3522 -2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 1 |
| 1 4 1 0 |
| 4 5 1 0 |
| 6 5 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 1 0 |
| 8 10 1 0 |
| 10 11 1 0 |
| 7 12 1 0 |
| 10 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 17 19 2 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 13 22 1 0 |
| 16 22 2 0 |
| 21 22 1 0 |
| 9 23 1 0 |
| 23 24 2 0 |
| 23 25 1 1 |
| 23 26 1 0 |
| 26 27 1 0 |
| 28 27 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 1 31 1 0 |
| 30 31 1 0 |
| 30 32 1 0 |
| 32 33 1 0 |
| 29 34 1 0 |
| 32 34 1 0 |
| 34 35 1 0 |
| 35 36 1 0 |
| 36 37 2 0 |
| 37 38 1 0 |
| 38 39 1 0 |
| 39 40 1 0 |
| 39 41 2 0 |
| 41 42 1 0 |
| 42 43 2 0 |
| 35 44 1 0 |
| 38 44 2 0 |
| 43 44 1 0 |
| 3 45 1 0 |
| 5 46 1 0 |
| 5 47 1 0 |
| 6 48 1 6 |
| 8 49 1 1 |
| 10 50 1 6 |
| 11 51 1 0 |
| 12 52 1 6 |
| 14 53 1 0 |
| 18 54 1 0 |
| 18 55 1 0 |
| 20 56 1 0 |
| 25 57 1 0 |
| 27 58 1 0 |
| 27 59 1 0 |
| 28 60 1 6 |
| 30 61 1 6 |
| 32 62 1 1 |
| 33 63 1 0 |
| 34 64 1 1 |
| 36 65 1 0 |
| 40 66 1 0 |
| 40 67 1 0 |
| 42 68 1 0 |
| M END |
| $$$$ |
|
|
