J1Q Converted by convert_cif2sdf.py 2024/03/29 11:09:15 76 79 0 0 0 0 0 0 0 0999 V2000 -0.0983 -4.7763 0.9148 C 0 0 0 0 0 0.5367 -3.6009 0.1689 C 0 0 0 0 0 1.2114 -2.6640 1.1729 C 0 0 0 0 0 1.7452 -1.4320 0.4399 C 0 0 0 0 0 2.4977 -0.5947 1.3774 N 0 0 0 0 0 3.9370 -0.8023 1.5532 C 0 0 0 0 0 4.7043 0.0705 0.5575 C 0 0 0 0 0 6.2072 -0.1471 0.7409 C 0 0 0 0 0 6.9735 0.7256 -0.2549 C 0 0 0 0 0 1.8649 0.3671 2.0794 C 0 0 0 0 0 2.5030 1.1208 2.7895 O 0 0 0 0 0 0.3981 0.5070 1.9844 C 0 0 0 0 0 -0.4172 -0.2554 1.2825 N 0 0 0 0 0 -0.3975 1.4801 2.6344 C 0 0 0 0 0 -1.6711 1.2202 2.2558 C 0 0 0 0 0 -2.9027 1.9794 2.6773 C 0 0 0 0 0 -1.6296 0.1418 1.4293 N 0 0 0 0 0 -2.7436 -0.4453 0.8235 C 0 0 0 0 0 -3.8778 -0.7235 1.5718 C 0 0 0 0 0 -4.9775 -1.3043 0.9701 C 0 0 0 0 0 -4.9579 -1.6112 -0.3791 C 0 0 0 0 0 -3.8384 -1.3394 -1.1386 C 0 0 0 0 0 -2.7216 -0.7493 -0.5456 C 0 0 0 0 0 -1.5204 -0.4560 -1.3518 C 0 0 0 0 0 -0.8085 -1.3642 -1.7347 O 0 0 0 0 0 -1.2131 0.8188 -1.6648 N 0 0 0 0 0 -1.9690 1.9447 -1.1047 C 0 0 0 0 0 -1.0150 3.0210 -0.6522 C 0 0 0 0 0 -1.5257 4.0538 0.1224 C 0 0 0 0 0 -0.7037 5.0733 0.5585 C 0 0 0 0 0 0.6365 5.0666 0.2206 C 0 0 0 0 0 1.1451 4.0377 -0.5452 C 0 0 0 0 0 0.3220 3.0071 -0.9813 C 0 0 0 0 0 0.9527 1.9047 -1.7900 C 0 0 0 0 0 -0.1018 1.1371 -2.5761 C 0 0 0 0 0 0.5053 -0.1567 -3.1224 C 0 0 0 0 0 -0.5136 -0.8938 -3.8818 N 0 0 0 0 0 0.6829 -5.3714 1.3866 H 0 0 0 0 0 -0.7776 -4.3968 1.6787 H 0 0 0 0 0 -0.6539 -5.3961 0.2108 H 0 0 0 0 0 1.2802 -3.9762 -0.5344 H 0 0 0 0 0 -0.2354 -3.0567 -0.3758 H 0 0 0 0 0 0.4853 -2.3536 1.9237 H 0 0 0 0 0 2.0370 -3.1852 1.6575 H 0 0 0 0 0 2.4013 -1.7470 -0.3720 H 0 0 0 0 0 0.9113 -0.8608 0.0321 H 0 0 0 0 0 4.2227 -0.5305 2.5692 H 0 0 0 0 0 4.1768 -1.8515 1.3773 H 0 0 0 0 0 4.4187 -0.2024 -0.4585 H 0 0 0 0 0 4.4646 1.1187 0.7334 H 0 0 0 0 0 6.4928 0.1247 1.7569 H 0 0 0 0 0 6.4470 -1.1964 0.5650 H 0 0 0 0 0 6.7347 1.7739 -0.0789 H 0 0 0 0 0 8.0448 0.5707 -0.1237 H 0 0 0 0 0 6.6889 0.4528 -1.2708 H 0 0 0 0 0 -0.0596 2.2647 3.2948 H 0 0 0 0 0 -3.1441 2.7273 1.9226 H 0 0 0 0 0 -3.7372 1.2865 2.7828 H 0 0 0 0 0 -2.7171 2.4720 3.6318 H 0 0 0 0 0 -3.9004 -0.4879 2.6257 H 0 0 0 0 0 -5.8587 -1.5198 1.5573 H 0 0 0 0 0 -5.8228 -2.0647 -0.8402 H 0 0 0 0 0 -3.8275 -1.5809 -2.1913 H 0 0 0 0 0 -2.6363 2.3474 -1.8666 H 0 0 0 0 0 -2.5568 1.5997 -0.2544 H 0 0 0 0 0 -2.5727 4.0608 0.3845 H 0 0 0 0 0 -1.1072 5.8744 1.1614 H 0 0 0 0 0 1.2833 5.8638 0.5546 H 0 0 0 0 0 2.1920 4.0337 -0.8094 H 0 0 0 0 0 1.6745 2.3365 -2.4827 H 0 0 0 0 0 1.4670 1.2164 -1.1185 H 0 0 0 0 0 -0.4648 1.7518 -3.3995 H 0 0 0 0 0 1.3428 0.0832 -3.7777 H 0 0 0 0 0 0.8568 -0.7722 -2.2940 H 0 0 0 0 0 -0.9312 -0.3072 -4.5900 H 0 0 0 0 0 -0.1265 -1.7315 -4.2890 H 0 0 0 0 0 21 20 2 0 0 0 21 22 1 0 0 0 20 19 1 0 0 0 22 23 2 0 0 0 27 28 1 0 0 0 27 26 1 0 0 0 19 18 2 0 0 0 29 28 2 0 0 0 29 30 1 0 0 0 23 18 1 0 0 0 23 24 1 0 0 0 37 36 1 0 0 0 28 33 1 0 0 0 30 31 2 0 0 0 18 17 1 0 0 0 26 24 1 0 0 0 26 35 1 0 0 0 36 35 1 0 0 0 24 25 2 0 0 0 35 34 1 0 0 0 1 2 1 0 0 0 31 32 1 0 0 0 33 32 2 0 0 0 33 34 1 0 0 0 17 13 1 0 0 0 17 15 1 0 0 0 13 12 2 0 0 0 16 15 1 0 0 0 2 3 1 0 0 0 15 14 2 0 0 0 3 4 1 0 0 0 12 14 1 0 0 0 12 10 1 0 0 0 4 5 1 0 0 0 10 5 1 0 0 0 10 11 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 1 38 1 0 0 0 1 39 1 0 0 0 1 40 1 0 0 0 2 41 1 0 0 0 2 42 1 0 0 0 3 43 1 0 0 0 3 44 1 0 0 0 4 45 1 0 0 0 4 46 1 0 0 0 6 47 1 0 0 0 6 48 1 0 0 0 7 49 1 0 0 0 7 50 1 0 0 0 8 51 1 0 0 0 8 52 1 0 0 0 9 53 1 0 0 0 9 54 1 0 0 0 9 55 1 0 0 0 14 56 1 0 0 0 16 57 1 0 0 0 16 58 1 0 0 0 16 59 1 0 0 0 19 60 1 0 0 0 20 61 1 0 0 0 21 62 1 0 0 0 22 63 1 0 0 0 27 64 1 0 0 0 27 65 1 0 0 0 29 66 1 0 0 0 30 67 1 0 0 0 31 68 1 0 0 0 32 69 1 0 0 0 34 70 1 0 0 0 34 71 1 0 0 0 35 72 1 0 0 0 36 73 1 0 0 0 36 74 1 0 0 0 37 75 1 0 0 0 37 76 1 0 0 0 M END $$$$