| 6YJA_2BA_B_201 |
| RDKit 3D |
|
|
| 68 74 0 0 0 0 0 0 0 0999 V2000 |
| -0.3042 -0.1309 2.5106 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0318 -0.1956 3.9614 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5522 -1.5846 1.8871 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8564 0.4538 1.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2000 1.8221 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3974 2.1903 0.8747 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.6369 1.7787 1.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4145 1.5144 -0.4877 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.4666 2.0602 -1.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8475 1.7732 -0.9175 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.9777 3.1275 -1.3824 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6002 1.5808 0.4112 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.1897 0.2615 0.5437 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7606 -0.7788 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5240 -1.8452 1.1879 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4958 -1.4696 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5960 -2.1454 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9189 -3.4617 0.0392 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4006 -1.4763 -1.1291 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0876 -0.1996 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0553 0.5421 -0.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3076 -0.1588 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9297 1.1023 -2.5517 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.6817 -0.1677 -2.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9636 2.0739 -3.8196 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6353 0.9562 -2.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0451 0.2007 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0115 1.0475 -0.2932 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.2254 1.2051 -1.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4407 0.4157 1.0276 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.6206 0.6911 2.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8029 1.0756 1.2415 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.6351 2.4033 1.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3591 1.1605 -0.1804 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.2150 0.0469 -0.5389 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9995 -0.9124 -1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9926 -1.7757 -1.5531 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9106 -1.3278 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1731 -1.7986 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7808 -2.9126 -0.7893 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8254 -1.1408 0.7584 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2410 -0.0519 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0420 0.4942 1.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4381 -0.2004 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1169 -2.2562 2.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3363 2.4273 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4249 2.0040 2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4266 3.2842 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2716 0.4328 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1792 1.1187 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3124 3.2473 -2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4020 2.3148 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8935 -0.7084 1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.9011 -3.6520 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5111 -3.7764 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7548 0.2908 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7505 1.5923 -4.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5446 -0.6982 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1770 -0.1146 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5885 2.0476 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5931 -0.6635 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4145 0.5162 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4986 2.6851 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9422 2.0738 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1130 -0.9369 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4907 -3.3151 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1395 -3.5386 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.8111 0.4472 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 6 |
| 1 4 1 0 |
| 4 5 1 0 |
| 6 5 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 1 0 |
| 8 10 1 0 |
| 10 11 1 0 |
| 7 12 1 0 |
| 10 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 17 19 2 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 13 22 1 0 |
| 16 22 2 0 |
| 21 22 1 0 |
| 9 23 1 0 |
| 23 24 2 0 |
| 23 25 1 6 |
| 23 26 1 0 |
| 26 27 1 0 |
| 28 27 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 1 31 1 0 |
| 30 31 1 0 |
| 30 32 1 0 |
| 32 33 1 0 |
| 29 34 1 0 |
| 32 34 1 0 |
| 34 35 1 0 |
| 35 36 1 0 |
| 36 37 2 0 |
| 37 38 1 0 |
| 38 39 1 0 |
| 39 40 1 0 |
| 39 41 2 0 |
| 41 42 1 0 |
| 42 43 2 0 |
| 35 44 1 0 |
| 38 44 2 0 |
| 43 44 1 0 |
| 3 45 1 0 |
| 5 46 1 0 |
| 5 47 1 0 |
| 6 48 1 6 |
| 8 49 1 1 |
| 10 50 1 6 |
| 11 51 1 0 |
| 12 52 1 1 |
| 14 53 1 0 |
| 18 54 1 0 |
| 18 55 1 0 |
| 20 56 1 0 |
| 25 57 1 0 |
| 27 58 1 0 |
| 27 59 1 0 |
| 28 60 1 1 |
| 30 61 1 6 |
| 32 62 1 1 |
| 33 63 1 0 |
| 34 64 1 1 |
| 36 65 1 0 |
| 40 66 1 0 |
| 40 67 1 0 |
| 42 68 1 0 |
| M END |
| $$$$ |
|
|
