| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 9.1279 -1.7633 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6519 -2.0835 -0.5749 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 7.3285 -3.4754 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3958 -2.1282 -2.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7286 -1.1315 0.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9805 0.2958 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6821 1.1105 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6824 2.3408 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5524 0.3232 -0.0049 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2044 0.7114 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7891 2.0199 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4259 2.3629 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1715 3.8059 -0.5208 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.4585 4.0728 -1.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7072 4.5678 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4330 1.3722 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0523 1.6420 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9291 0.6671 0.6610 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.4326 0.9640 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3101 -0.2126 0.9163 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.8295 0.0532 0.8239 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.6033 -0.9785 1.6679 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| -6.5416 -0.7084 3.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0514 -1.1716 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2699 0.0843 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3459 0.9427 -0.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6912 -0.6316 -1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2466 -0.5149 -3.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1515 0.2788 -3.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7237 -1.3118 -3.9606 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5430 -1.5238 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0976 -2.3148 -2.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9689 -1.4884 0.1419 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.5666 -2.5793 0.8657 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4711 -1.7134 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1015 -3.0048 -0.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5641 -0.7544 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1079 -1.0708 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3096 -2.1805 0.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8655 0.0364 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2397 -0.2780 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7162 -1.5500 0.4099 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4295 -0.7929 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7877 -2.5252 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3192 -1.7394 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2790 -3.7466 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9440 -4.2519 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5201 -3.5117 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6787 -1.1976 -2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9760 -2.9305 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3385 -2.3155 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8074 -1.2534 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7118 0.7026 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3377 0.4541 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7438 -0.6787 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5404 2.7852 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1070 4.2026 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6096 3.8745 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8940 3.4461 -2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6128 5.1300 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9120 5.6243 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3637 4.4220 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2696 4.2383 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3213 1.5880 -1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2872 2.6486 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7214 0.8156 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6144 1.1684 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7037 1.8757 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0499 -0.3661 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0475 1.0276 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1413 -1.8975 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9709 -1.5716 3.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5014 -0.5886 3.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1166 0.1972 3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5666 -0.2146 1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0883 -1.5545 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4906 -1.9186 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5987 0.9677 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1304 -1.2931 -4.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0249 -2.0300 -3.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9510 -3.3435 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5406 -3.2646 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9660 -2.1671 0.5803 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 6 |
| 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 |
| $$$$ |
|
|
