| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 7.3112 0.4291 -1.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3701 -0.3942 -0.9348 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 9.7188 0.3414 -1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5134 -1.7745 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0957 -0.5085 0.5132 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8645 -1.1866 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6597 -0.2330 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7627 0.9619 1.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4740 -0.8493 0.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2290 -0.2330 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0507 1.1469 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7890 1.7237 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8009 3.2118 0.0097 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.4342 3.7899 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1862 3.8499 1.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6485 0.9027 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7546 1.4227 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8191 0.5234 0.3026 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.2549 1.0912 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3178 0.0618 0.5686 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.7745 0.6284 0.5031 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.3305 0.7352 1.9427 N 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.7759 -0.5789 2.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4180 1.7852 2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7149 -0.0156 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0609 0.2501 -0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2834 -0.7390 -1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2197 -1.2794 -2.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4312 -1.1915 -2.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6833 -1.8707 -3.6857 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8246 -0.9620 -1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2069 -0.8063 -2.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1755 -1.2307 -0.2592 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -4.8724 -2.2572 0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7442 -1.6904 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6463 -3.0326 -0.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6845 -0.8974 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3007 -1.4387 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0990 -2.6312 -0.5155 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8429 -0.5066 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1246 -1.0572 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3681 -2.4090 0.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1669 1.4084 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3408 -0.0794 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6155 0.6035 -2.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.6724 1.3486 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.0218 0.4648 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5190 -0.2166 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8662 -1.6824 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5609 -2.3131 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2347 -2.4068 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0967 0.4231 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6712 -2.0950 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9811 -1.4920 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4647 -1.8690 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9149 1.7945 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7978 3.4701 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3936 3.5582 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5708 4.8734 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1156 3.3768 -2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4351 3.2608 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6211 4.8479 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1068 3.9358 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8813 2.4243 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9124 1.4954 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6274 0.5044 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3574 2.0164 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4130 1.3633 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0700 -0.1829 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6822 1.6814 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5685 1.0755 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9276 -1.2672 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0582 -0.3698 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6215 -0.9804 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4853 2.0226 3.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3706 1.3935 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1096 2.6823 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6138 -0.2327 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3121 -2.1664 -4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6919 -1.8110 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4951 -3.1056 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7015 -3.3086 -0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5630 -2.8992 -0.1719 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 6 |
| 22 71 1 6 |
| 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 |
| $$$$ |
|
|
