JE1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 47 49 0 0 0 0 0 0 0 0999 V2000 -3.7685 -0.4945 -1.2791 C 0 0 0 0 0 -4.3614 -1.1767 -0.1945 C 0 0 0 0 0 -3.5443 -1.6813 0.7943 C 0 0 0 0 0 -4.4565 -0.0325 -2.1754 O 0 0 0 0 0 3.1541 1.4518 0.8275 C 0 0 0 0 0 -6.6905 0.2739 0.0840 C 0 0 0 0 0 -5.7915 1.3242 0.2621 C 0 0 0 0 0 -6.2957 2.6058 0.4024 C 0 0 0 0 0 -7.6644 2.8005 0.3599 C 0 0 0 0 0 -8.0522 0.5505 0.0532 C 0 0 0 0 0 -9.0375 -0.5722 -0.1445 C 0 0 0 0 0 3.0497 -0.6061 -0.5848 C 0 0 0 0 0 -1.6731 -0.8725 -0.2928 C 0 0 0 0 0 0.5408 -1.3729 0.6804 C 0 0 0 0 0 1.4472 -0.3084 1.3077 C 0 0 0 0 0 2.2229 0.4114 0.2023 C 0 0 0 0 0 1.2395 1.1093 -0.7413 C 0 0 0 0 0 0.3307 0.0618 -1.3908 C 0 0 0 0 0 -10.1727 -0.0860 -0.8027 F 0 0 0 0 0 -8.4472 -1.5800 -0.9148 F 0 0 0 0 0 -9.4078 -1.0933 1.1003 F 0 0 0 0 0 -2.4255 -0.3576 -1.3029 N 0 0 0 0 0 -2.2239 -1.5186 0.7125 N 0 0 0 0 0 -0.3081 -0.7321 -0.3334 N 0 0 0 0 0 3.8997 2.1415 -0.2333 N 0 0 0 0 0 -8.4896 1.7865 0.1906 N 0 0 0 0 0 -6.1097 -1.3793 -0.1068 S 0 0 0 0 0 -3.9746 -2.2064 1.6342 H 0 0 0 0 0 2.5650 2.1765 1.3889 H 0 0 0 0 0 3.8544 0.9542 1.4990 H 0 0 0 0 0 -4.7264 1.1421 0.2912 H 0 0 0 0 0 -5.6291 3.4430 0.5422 H 0 0 0 0 0 -8.0631 3.7988 0.4697 H 0 0 0 0 0 2.3861 -1.3474 -1.0306 H 0 0 0 0 0 3.6023 -0.0939 -1.3729 H 0 0 0 0 0 3.7510 -1.1026 0.0857 H 0 0 0 0 0 1.1521 -2.1431 0.2122 H 0 0 0 0 0 -0.0840 -1.8219 1.4531 H 0 0 0 0 0 0.8383 0.4122 1.8538 H 0 0 0 0 0 2.1476 -0.7856 1.9930 H 0 0 0 0 0 0.6330 1.8161 -0.1757 H 0 0 0 0 0 1.7933 1.6409 -1.5145 H 0 0 0 0 0 -0.4330 0.5597 -1.9873 H 0 0 0 0 0 0.9256 -0.5922 -2.0291 H 0 0 0 0 0 3.2715 2.5566 -0.9052 H 0 0 0 0 0 4.5224 2.8348 0.1542 H 0 0 0 0 0 -1.9988 0.1154 -2.0341 H 0 0 0 0 0 12 16 1 0 0 0 18 24 1 0 0 0 18 17 1 0 0 0 24 14 1 0 0 0 24 13 1 0 0 0 17 16 1 0 0 0 14 15 1 0 0 0 16 15 1 0 0 0 16 5 1 0 0 0 22 13 1 0 0 0 22 1 1 0 0 0 13 23 2 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 5 25 1 0 0 0 4 1 2 0 0 0 1 2 1 0 0 0 23 3 1 0 0 0 7 6 1 0 0 0 9 26 2 0 0 0 3 2 2 0 0 0 2 27 1 0 0 0 26 10 1 0 0 0 6 10 2 0 0 0 6 27 1 0 0 0 10 11 1 0 0 0 11 21 1 0 0 0 11 19 1 0 0 0 11 20 1 0 0 0 3 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 7 31 1 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 12 36 1 0 0 0 14 37 1 0 0 0 14 38 1 0 0 0 15 39 1 0 0 0 15 40 1 0 0 0 17 41 1 0 0 0 17 42 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 25 45 1 0 0 0 25 46 1 0 0 0 22 47 1 0 0 0 M END $$$$