| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 8.0303 -2.1866 -1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8629 -2.1258 -0.1813 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 7.4349 -3.5243 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1988 -1.7612 0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7720 -1.2008 0.2038 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0409 0.2271 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7348 1.0377 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7351 2.2646 0.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6021 0.2516 -0.1249 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2561 0.6523 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8574 1.9819 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5004 2.3426 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2593 3.7993 -0.4768 N 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.9083 4.5043 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4397 4.1452 -1.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4959 1.3509 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9905 1.6466 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8220 0.6009 0.5651 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.3317 0.9513 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2296 -0.2686 0.9014 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.7444 0.1115 0.9342 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.4205 -0.4408 2.2129 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| -7.7313 0.2457 2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6026 -1.9363 2.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5137 -0.1297 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8375 0.2971 -0.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9801 -0.6385 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8198 -0.7726 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0141 -0.4869 -2.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2169 -1.2157 -3.8464 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5351 -0.9825 -1.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8624 -0.8626 -2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9517 -1.3945 -0.1136 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.5853 -2.5884 0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4718 -1.6813 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2017 -2.9783 -0.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5216 -0.7713 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0857 -1.1127 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2699 -2.2784 -0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9115 -0.0079 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2782 -0.3431 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7326 -1.6396 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4332 -1.2552 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0734 -2.3888 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7229 -2.9867 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3106 -3.5512 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1832 -4.2814 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4847 -3.8321 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9667 -2.5090 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5793 -0.7943 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0986 -1.7145 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6260 -1.2917 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4537 0.3822 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7254 0.6383 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7847 -0.7564 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6167 2.7536 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1847 4.1877 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0775 4.1854 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6751 4.2800 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9048 5.5775 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6178 3.9838 -1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6104 5.2027 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7799 3.5382 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1927 2.6162 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3184 1.6936 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5015 0.6123 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5095 1.7591 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6123 1.3536 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9322 -0.6083 1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7803 1.1967 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8084 -0.2045 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6297 1.3164 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9228 0.0831 3.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5345 -0.2032 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0544 -2.2776 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6272 -2.3865 2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2549 -2.1756 3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2994 0.1173 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2122 -1.3506 -3.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7663 -1.2882 -4.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0751 -3.3237 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2251 -3.1161 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9787 -2.2636 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 2 4 1 0 |
| 2 5 1 6 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 7 9 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 13 15 1 0 |
| 12 16 2 0 |
| 16 17 1 0 |
| 18 17 1 0 |
| 18 19 1 0 |
| 20 19 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 22 24 1 0 |
| 21 25 1 0 |
| 25 26 1 0 |
| 25 27 2 0 |
| 27 28 1 0 |
| 28 29 2 0 |
| 28 30 1 0 |
| 27 31 1 0 |
| 31 32 2 0 |
| 20 33 1 0 |
| 31 33 1 0 |
| 33 34 1 1 |
| 33 35 1 0 |
| 35 36 1 0 |
| 18 37 1 0 |
| 35 37 2 0 |
| 37 38 1 0 |
| 38 39 2 0 |
| 16 40 1 0 |
| 38 40 1 0 |
| 10 41 1 0 |
| 40 41 2 0 |
| 41 42 1 0 |
| 1 43 1 0 |
| 1 44 1 0 |
| 1 45 1 0 |
| 3 46 1 0 |
| 3 47 1 0 |
| 3 48 1 0 |
| 4 49 1 0 |
| 4 50 1 0 |
| 4 51 1 0 |
| 5 52 1 0 |
| 6 53 1 0 |
| 6 54 1 0 |
| 9 55 1 0 |
| 11 56 1 0 |
| 13 57 1 1 |
| 14 58 1 0 |
| 14 59 1 0 |
| 14 60 1 0 |
| 15 61 1 0 |
| 15 62 1 0 |
| 15 63 1 0 |
| 17 64 1 0 |
| 17 65 1 0 |
| 18 66 1 1 |
| 19 67 1 0 |
| 19 68 1 0 |
| 20 69 1 1 |
| 21 70 1 1 |
| 22 71 1 1 |
| 23 72 1 0 |
| 23 73 1 0 |
| 23 74 1 0 |
| 24 75 1 0 |
| 24 76 1 0 |
| 24 77 1 0 |
| 26 78 1 0 |
| 30 79 1 0 |
| 30 80 1 0 |
| 34 81 1 0 |
| 36 82 1 0 |
| 42 83 1 0 |
| M CHG 2 13 1 22 1 |
| M END |
| $$$$ |
|
|
