| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 8.7868 -1.6348 -1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4196 -2.1849 -1.3555 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 6.8431 -3.0425 -2.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5849 -3.0822 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4338 -1.1060 -1.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8273 -0.1170 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6234 0.7685 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7613 1.8700 0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4101 0.1770 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1136 0.6776 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8528 1.8707 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5443 2.3546 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3668 3.6659 1.6806 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.6492 3.5491 3.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1664 4.7634 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4466 1.6039 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9908 2.0797 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0204 0.9477 0.7679 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.4667 1.4530 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5693 0.3444 0.2878 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -5.2383 0.3830 -1.1103 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.2220 1.5519 -1.2860 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| -7.2730 1.7199 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6543 2.8538 -1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9685 -0.8853 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8038 -0.6461 -2.6195 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8852 -2.0803 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7051 -3.2181 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4580 -3.0648 -2.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5942 -4.4060 -0.7694 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9933 -2.1905 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0515 -3.1660 1.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9884 -1.0563 0.5465 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.6816 -1.1212 1.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6828 -1.2172 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5564 -2.3396 -0.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7289 -0.2745 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3853 -0.4661 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1799 -1.3386 -1.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7210 0.3803 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0419 -0.0653 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3556 -1.2289 -0.9749 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.2782 -1.0733 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.4622 -2.4502 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6893 -0.9707 -2.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5093 -3.8797 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8684 -3.4656 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7087 -2.4560 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6132 -3.4247 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1765 -3.9728 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1015 -2.5676 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3066 -0.6007 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.6197 0.5359 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1503 -0.5936 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4876 -0.7244 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6803 2.4382 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3929 3.9597 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9923 2.7785 3.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4137 4.5147 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7022 3.3015 3.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2296 4.6259 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9623 4.7419 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8234 5.7126 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1842 2.6166 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1477 2.7944 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9580 0.6571 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4214 2.0638 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7768 2.1354 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3284 0.5262 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4671 0.5404 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7640 1.2134 -2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8154 2.1896 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6862 0.7390 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0597 2.3612 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4766 3.4610 -2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9323 2.6570 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1852 3.3569 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2520 -1.4950 -2.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1618 -5.1881 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0327 -4.5329 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6608 -2.0783 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6491 -2.3769 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5517 -1.6118 -1.3900 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 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 |
| $$$$ |
|
|
