| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 6.7280 -1.2794 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3030 -1.8245 0.4333 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.8538 -3.2906 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8415 -1.7953 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7742 -1.1123 -0.7575 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0098 0.3547 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6954 1.1235 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6629 2.3396 -0.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5907 0.2906 -0.5771 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2316 0.6301 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7828 1.9460 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4155 2.2614 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0306 3.6923 -0.6318 N 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.3674 4.1872 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6126 4.5549 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4494 1.2403 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0406 1.5221 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8057 0.4526 0.5877 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.3236 0.7805 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1555 -0.4866 1.0196 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.6861 -0.2599 1.1661 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.2856 -1.4404 1.9669 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| -6.2578 -1.1845 3.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6640 -1.9144 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3714 -0.0245 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5946 0.6192 -0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8653 -0.3893 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6319 -0.0529 -2.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7608 0.4234 -2.5227 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0316 -0.2601 -3.7936 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5156 -1.0297 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8911 -1.0573 -2.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9294 -1.5450 -0.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.5736 -2.7465 0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4579 -1.8245 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1934 -3.1118 -0.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5092 -0.9028 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0799 -1.2326 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2202 -2.3939 -0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9026 -0.1048 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2843 -0.3891 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7194 -1.6837 -0.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0489 -0.2509 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0520 -1.9001 2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6329 -1.2942 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2142 -3.7300 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7616 -3.3722 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2241 -3.9104 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2334 -2.4539 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2290 -0.7877 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2698 -2.1333 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2685 -1.5005 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3679 0.6387 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7443 0.6887 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8712 -0.6884 -0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5080 2.7421 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0165 3.7788 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8808 3.5263 -2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4527 4.2138 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9531 5.1936 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7034 4.5888 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3142 4.1336 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1915 5.5572 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4396 1.6012 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2115 2.4806 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4240 0.4508 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4750 1.5308 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6715 1.2489 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7786 -0.8679 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8490 0.6305 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6785 -2.2614 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2418 -0.9080 3.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9677 -0.3716 3.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5542 -2.1064 3.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3996 -1.1191 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9107 -2.8006 2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6225 -2.2213 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0156 0.7611 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5245 -0.0392 -4.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1000 -0.6654 -3.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0767 -3.4695 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2123 -3.2197 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5769 -1.7007 0.2742 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 1 |
| 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 |
| $$$$ |
|
|
