J2Y Converted by convert_cif2sdf.py 2024/03/29 11:09:15 44 47 0 0 0 0 0 0 0 0999 V2000 -0.7974 2.8895 0.1271 C 0 0 0 0 0 -1.7575 0.7888 0.1494 C 0 0 0 0 0 2.0348 -1.2663 0.0516 C 0 0 0 0 0 -2.0113 3.4877 0.4319 C 0 0 0 0 0 -3.1416 2.6905 0.6006 C 0 0 0 0 0 -3.0105 1.3222 0.4572 C 0 0 0 0 0 5.5836 -0.5135 0.2558 C 0 0 0 0 0 1.0121 0.4104 -1.3349 C 0 0 0 0 0 2.2625 0.9607 -1.5193 C 0 0 0 0 0 -0.8951 5.5867 0.3778 C 0 0 0 0 0 -2.6574 -1.6886 0.1271 C 0 0 0 0 0 -2.0377 -2.9290 -0.1087 C 0 0 0 0 0 -2.8084 -4.0890 -0.0421 C 0 0 0 0 0 -4.1536 -3.9665 0.2546 C 0 0 0 0 0 -4.6965 -2.7105 0.4745 C 0 0 0 0 0 -3.9558 -1.6259 0.4081 N 0 0 0 0 0 -1.6030 -0.6732 -0.0065 C 0 0 0 0 0 -0.4397 -1.3527 -0.3084 C 0 0 0 0 0 -0.7060 -2.6975 -0.3722 N 0 0 0 0 0 0.8812 -0.7313 -0.5319 C 0 0 0 0 0 3.3282 0.4353 -0.9438 N 0 0 0 0 0 3.2531 -0.6458 -0.1826 C 0 0 0 0 0 -0.7035 1.5824 -0.0031 N 0 0 0 0 0 4.4127 -1.1663 0.3920 N 0 0 0 0 0 5.6482 0.4763 -0.4423 O 0 0 0 0 0 6.8123 -1.0131 0.9702 C 0 0 0 0 0 -2.0979 4.8380 0.5649 O 0 0 0 0 0 0.0805 3.5042 -0.0088 H 0 0 0 0 0 1.9765 -2.1446 0.6763 H 0 0 0 0 0 -4.0981 3.1320 0.8382 H 0 0 0 0 0 -3.8656 0.6748 0.5802 H 0 0 0 0 0 0.1457 0.8527 -1.8029 H 0 0 0 0 0 2.3711 1.8399 -2.1371 H 0 0 0 0 0 -0.5137 5.4149 -0.6292 H 0 0 0 0 0 -1.1027 6.6476 0.5122 H 0 0 0 0 0 -0.1503 5.2670 1.1076 H 0 0 0 0 0 -2.3649 -5.0580 -0.2180 H 0 0 0 0 0 -4.7772 -4.8459 0.3125 H 0 0 0 0 0 -5.7477 -2.6202 0.7057 H 0 0 0 0 0 -0.0510 -3.3849 -0.5686 H 0 0 0 0 0 4.3762 -1.9980 0.8889 H 0 0 0 0 0 7.6558 -0.3621 0.7407 H 0 0 0 0 0 6.6342 -1.0111 2.0452 H 0 0 0 0 0 7.0369 -2.0277 0.6411 H 0 0 0 0 0 21 9 2 0 0 0 21 22 1 0 0 0 26 7 1 0 0 0 24 22 1 0 0 0 24 7 1 0 0 0 9 8 1 0 0 0 22 3 2 0 0 0 7 25 2 0 0 0 8 20 2 0 0 0 3 20 1 0 0 0 5 6 2 0 0 0 5 4 1 0 0 0 27 10 1 0 0 0 27 4 1 0 0 0 20 18 1 0 0 0 6 2 1 0 0 0 4 1 2 0 0 0 2 17 1 0 0 0 2 23 2 0 0 0 18 17 2 0 0 0 18 19 1 0 0 0 1 23 1 0 0 0 17 11 1 0 0 0 19 12 1 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 16 15 2 0 0 0 13 14 2 0 0 0 15 14 1 0 0 0 1 28 1 0 0 0 3 29 1 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 10 34 1 0 0 0 10 35 1 0 0 0 10 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 19 40 1 0 0 0 24 41 1 0 0 0 26 42 1 0 0 0 26 43 1 0 0 0 26 44 1 0 0 0 M END $$$$