90W Converted by convert_cif2sdf.py 2024/03/29 11:09:15 58 61 0 0 0 0 0 0 0 0999 V2000 -4.6902 -0.9791 1.2674 C 0 0 0 0 0 -5.4594 -2.3002 1.2092 C 0 0 0 0 0 -6.7048 -2.1276 0.3385 C 0 0 0 0 0 -7.4232 -3.3614 0.2834 O 0 0 0 0 0 -6.2865 -1.7177 -1.0760 C 0 0 0 0 0 -5.5173 -0.3965 -1.0168 C 0 0 0 0 0 -4.2718 -0.5692 -0.1461 C 0 0 0 0 0 -3.5357 0.6957 -0.0903 N 0 0 0 0 0 -2.2118 0.6947 0.1622 C 0 0 0 0 0 -1.6288 -0.3567 0.3441 O 0 0 0 0 0 -1.4680 1.9722 0.2198 C 0 0 0 0 0 -0.0981 1.9728 0.4808 C 0 0 0 0 0 -2.1351 3.1801 0.0062 C 0 0 0 0 0 -1.4381 4.3710 0.0588 C 0 0 0 0 0 -0.0822 4.3724 0.3217 C 0 0 0 0 0 0.5915 3.1751 0.5312 C 0 0 0 0 0 1.9638 3.1817 0.7981 N 0 0 0 0 0 2.7348 2.0834 0.4789 C 0 0 0 0 0 4.3816 1.8937 0.8954 S 0 0 0 0 0 2.3073 1.0427 -0.1773 N 0 0 0 0 0 3.1658 0.0803 -0.3998 C 0 0 0 0 0 4.4138 0.3191 0.1047 C 0 0 0 0 0 5.5682 -0.5726 0.0085 C 0 0 0 0 0 5.4645 -1.6421 -0.5644 O 0 0 0 0 0 6.7463 -0.2119 0.5541 N 0 0 0 0 0 7.8791 -1.0099 0.3630 C 0 0 0 0 0 7.8296 -2.3698 0.6459 C 0 0 0 0 0 6.3610 -3.0809 1.2382 CL 0 0 0 0 0 8.9510 -3.1540 0.4554 C 0 0 0 0 0 10.1215 -2.5874 -0.0168 C 0 0 0 0 0 10.1736 -1.2357 -0.2985 C 0 0 0 0 0 9.0545 -0.4457 -0.1151 C 0 0 0 0 0 9.1117 1.0264 -0.4299 C 0 0 0 0 0 -5.3285 -0.2059 1.6957 H 0 0 0 0 0 -3.8024 -1.1017 1.8880 H 0 0 0 0 0 -4.8211 -3.0734 0.7808 H 0 0 0 0 0 -5.7579 -2.5923 2.2159 H 0 0 0 0 0 -7.3431 -1.3544 0.7658 H 0 0 0 0 0 -8.2267 -3.3252 -0.2537 H 0 0 0 0 0 -5.6482 -2.4908 -1.5033 H 0 0 0 0 0 -7.1742 -1.5940 -1.6956 H 0 0 0 0 0 -5.2188 -0.1044 -2.0236 H 0 0 0 0 0 -6.1556 0.3766 -0.5884 H 0 0 0 0 0 -3.6335 -1.3423 -0.5745 H 0 0 0 0 0 -4.0009 1.5348 -0.2342 H 0 0 0 0 0 0.4238 1.0417 0.6430 H 0 0 0 0 0 -3.1950 3.1830 -0.2002 H 0 0 0 0 0 -1.9559 5.3038 -0.1073 H 0 0 0 0 0 0.4574 5.3074 0.3608 H 0 0 0 0 0 2.3747 3.9598 1.2075 H 0 0 0 0 0 2.9106 -0.8238 -0.9343 H 0 0 0 0 0 6.8092 0.6016 1.0790 H 0 0 0 0 0 8.9132 -4.2111 0.6752 H 0 0 0 0 0 10.9965 -3.2029 -0.1640 H 0 0 0 0 0 11.0892 -0.7963 -0.6675 H 0 0 0 0 0 9.4247 1.5765 0.4585 H 0 0 0 0 0 9.8266 1.1994 -1.2347 H 0 0 0 0 0 8.1251 1.3701 -0.7403 H 0 0 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 14 13 1 0 0 0 17 16 1 0 0 0 17 18 1 0 0 0 20 18 2 0 0 0 20 21 1 0 0 0 16 12 2 0 0 0 18 19 1 0 0 0 21 22 2 0 0 0 13 11 2 0 0 0 12 11 1 0 0 0 22 19 1 0 0 0 22 23 1 0 0 0 11 9 1 0 0 0 25 23 1 0 0 0 25 26 1 0 0 0 33 32 1 0 0 0 23 24 2 0 0 0 9 8 1 0 0 0 9 10 2 0 0 0 26 32 2 0 0 0 26 27 1 0 0 0 32 31 1 0 0 0 8 7 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 31 30 2 0 0 0 7 6 1 0 0 0 7 1 1 0 0 0 6 5 1 0 0 0 1 2 1 0 0 0 29 30 1 0 0 0 5 3 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 2 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 5 40 1 0 0 0 5 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 8 45 1 0 0 0 12 46 1 0 0 0 13 47 1 0 0 0 14 48 1 0 0 0 15 49 1 0 0 0 17 50 1 0 0 0 21 51 1 0 0 0 25 52 1 0 0 0 29 53 1 0 0 0 30 54 1 0 0 0 31 55 1 0 0 0 33 56 1 0 0 0 33 57 1 0 0 0 33 58 1 0 0 0 M END $$$$