| 6YR2_T1C_BBB_1001 |
| RDKit 3D |
|
|
| 83 86 0 0 0 0 0 0 0 0999 V2000 |
| 9.1035 -2.0399 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1613 -0.7082 -0.5045 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 10.1251 0.2370 -1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7069 -0.9415 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8492 -0.0377 -0.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7693 -0.7288 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5122 0.1607 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5762 1.3885 0.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3309 -0.5588 0.1286 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0203 -0.0468 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7322 1.2972 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4092 1.7527 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1799 3.1819 -0.6187 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.5944 4.0952 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8220 3.5485 -1.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3328 0.8609 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1138 1.3159 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0383 0.3690 0.7306 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.5083 0.8642 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5429 -0.2796 0.9441 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -6.0145 0.2486 0.8891 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -6.8239 -0.2775 2.0965 N 0 0 1 0 0 0 0 0 0 0 0 0 |
| -8.0827 0.5175 2.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1339 -1.7511 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7112 0.1403 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9941 0.6795 -0.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1166 -0.3274 -1.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7725 -0.2416 -2.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2298 0.2285 -3.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0589 -0.7016 -2.9607 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6969 -0.7571 -1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8766 -0.5220 -2.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3128 -1.3689 -0.1190 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.1364 -2.4948 0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8755 -1.8345 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7207 -3.1539 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8586 -1.0331 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4589 -1.5242 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2074 -2.7257 0.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6309 -0.5157 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9650 -0.9569 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3154 -2.2768 0.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4856 -2.7842 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1069 -2.4728 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.6943 -1.9010 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.1313 -0.1943 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7836 0.4391 -2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.2182 1.1988 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7081 -0.0140 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1214 -1.6904 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7412 -1.3065 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9407 0.9023 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5400 -1.6807 -0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0115 -0.9055 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3819 -1.5745 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5451 2.0016 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1791 3.3222 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3335 5.1159 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0314 3.8151 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6716 4.0116 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5402 2.7982 -2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4243 4.5240 -2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9074 3.6057 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4520 1.4071 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1856 2.3050 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7124 0.3669 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7221 1.3850 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6271 1.6189 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3527 -0.6992 1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9559 1.3262 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2431 -0.1201 2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3665 0.3226 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8789 0.1834 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8639 1.5795 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8235 -1.9578 2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5909 -2.0206 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2069 -2.2927 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3714 0.6774 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4379 -0.7743 -3.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3803 -1.4202 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6819 -3.2561 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7702 -3.4095 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5104 -2.8408 0.2574 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 |
| $$$$ |
|
|
