JK5 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 58 0 0 0 0 0 0 0 0999 V2000 3.2624 0.2063 1.0992 N 0 0 0 0 0 4.3464 0.9608 1.1891 C 0 0 0 0 0 5.4018 0.5559 1.9980 N 0 0 0 0 0 4.4381 2.1557 0.4823 C 0 0 0 0 0 3.3798 2.5458 -0.3181 C 0 0 0 0 0 2.2614 1.7256 -0.3862 C 0 0 0 0 0 2.2377 0.5529 0.3426 C 0 0 0 0 0 3.4392 3.8336 -1.0999 C 0 0 0 0 0 1.0269 -0.3416 0.2739 C 0 0 0 0 0 -0.9245 -2.0153 0.3182 O 0 0 0 0 0 1.4389 -3.0549 -2.1502 N 0 0 0 0 0 -1.8935 -2.8437 0.9647 C 0 0 0 0 0 -3.1041 -1.9975 1.3622 C 0 0 0 0 0 -3.7685 -1.4935 0.1526 N 0 0 0 0 0 -4.9376 -0.6744 0.4972 C 0 0 0 0 0 -5.6016 -0.1701 -0.7857 C 0 0 0 0 0 -4.6885 0.6029 -1.5104 F 0 0 0 0 0 -6.0080 -1.2606 -1.5620 F 0 0 0 0 0 0.0923 -3.2218 -1.5445 C 0 0 0 0 0 -6.8017 0.6710 -0.4327 C 0 0 0 0 0 -6.6600 2.0322 -0.2451 C 0 0 0 0 0 -7.7624 2.8052 0.0804 C 0 0 0 0 0 -7.6244 4.1358 0.2638 F 0 0 0 0 0 -9.0066 2.2121 0.2148 C 0 0 0 0 0 -9.1463 0.8489 0.0260 C 0 0 0 0 0 -10.7055 0.1051 0.1940 CL 0 0 0 0 0 -8.0447 0.0795 -0.3041 C 0 0 0 0 0 0.2530 -2.7130 -0.0954 C 0 0 0 0 0 1.4578 -1.7504 -0.1396 C 0 0 0 0 0 1.9238 -1.7586 -1.6108 C 0 0 0 0 0 5.3432 -0.2760 2.4925 H 0 0 0 0 0 6.1978 1.1062 2.0674 H 0 0 0 0 0 5.3230 2.7707 0.5584 H 0 0 0 0 0 1.4184 2.0013 -1.0016 H 0 0 0 0 0 3.8703 3.6420 -2.0825 H 0 0 0 0 0 2.4327 4.2341 -1.2163 H 0 0 0 0 0 4.0581 4.5542 -0.5664 H 0 0 0 0 0 0.5475 -0.3794 1.2515 H 0 0 0 0 0 0.3253 0.0539 -0.4599 H 0 0 0 0 0 2.0521 -3.8111 -1.8818 H 0 0 0 0 0 -2.2100 -3.6326 0.2820 H 0 0 0 0 0 -1.4532 -3.2899 1.8568 H 0 0 0 0 0 -3.8036 -2.6089 1.9334 H 0 0 0 0 0 -2.7742 -1.1567 1.9729 H 0 0 0 0 0 -3.1226 -0.9780 -0.4254 H 0 0 0 0 0 -5.6495 -1.2774 1.0609 H 0 0 0 0 0 -4.6211 0.1748 1.1014 H 0 0 0 0 0 -0.6421 -2.6200 -2.0795 H 0 0 0 0 0 -0.1990 -4.2721 -1.5479 H 0 0 0 0 0 -5.6895 2.4937 -0.3501 H 0 0 0 0 0 -9.8671 2.8136 0.4688 H 0 0 0 0 0 -8.1557 -0.9832 -0.4551 H 0 0 0 0 0 0.4554 -3.5456 0.5784 H 0 0 0 0 0 2.2522 -2.1098 0.5135 H 0 0 0 0 0 3.0118 -1.7075 -1.6654 H 0 0 0 0 0 1.4753 -0.9282 -2.1572 H 0 0 0 0 0 1 2 2 0 0 0 1 7 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 6 7 2 0 0 0 7 9 1 0 0 0 9 29 1 0 0 0 10 12 1 0 0 0 10 28 1 0 0 0 11 19 1 0 0 0 11 30 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 20 1 0 0 0 19 28 1 0 0 0 20 21 2 0 0 0 20 27 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 6 34 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 8 37 1 0 0 0 9 38 1 0 0 0 9 39 1 0 0 0 11 40 1 0 0 0 12 41 1 0 0 0 12 42 1 0 0 0 13 43 1 0 0 0 13 44 1 0 0 0 14 45 1 0 0 0 15 46 1 0 0 0 15 47 1 0 0 0 19 48 1 0 0 0 19 49 1 0 0 0 21 50 1 0 0 0 24 51 1 0 0 0 27 52 1 0 0 0 28 53 1 0 0 0 29 54 1 0 0 0 30 55 1 0 0 0 30 56 1 0 0 0 M END $$$$