JRM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 37 38 0 0 0 0 0 0 0 0999 V2000 -0.3525 -0.1210 0.5555 N 0 0 0 0 0 0.5793 -3.9701 0.0265 C 0 0 0 0 0 3.2613 -0.0712 1.3269 C 0 0 0 0 0 -4.9508 1.3016 -0.1274 C 0 0 0 0 0 -3.0884 -0.7535 -0.1410 C 0 0 0 0 0 3.9988 0.3688 0.0894 C 0 0 0 0 0 1.9500 -0.6061 0.9501 N 0 0 0 0 0 1.8111 -1.9174 0.6732 C 0 0 0 0 0 0.4624 -2.4668 0.2859 C 0 0 0 0 0 2.7712 -2.6554 0.7372 O 0 0 0 0 0 0.8503 0.2398 0.8768 C 0 0 0 0 0 0.8724 1.9697 1.2069 S 0 0 0 0 0 -0.8529 2.0591 0.8588 C 0 0 0 0 0 -1.2808 0.8251 0.5373 C 0 0 0 0 0 -2.6937 0.5434 0.1859 C 0 0 0 0 0 -4.4048 -1.0104 -0.4674 C 0 0 0 0 0 -5.3352 0.0134 -0.4557 C 0 0 0 0 0 -3.6348 1.5719 0.1906 C 0 0 0 0 0 -0.3962 -4.3680 -0.2533 H 0 0 0 0 0 1.2899 -4.1465 -0.7810 H 0 0 0 0 0 3.8355 -0.8453 1.8366 H 0 0 0 0 0 3.1279 0.7805 1.9938 H 0 0 0 0 0 -5.6801 2.0972 -0.1242 H 0 0 0 0 0 -2.3654 -1.5553 -0.1387 H 0 0 0 0 0 0.1133 -1.9686 -0.6195 H 0 0 0 0 0 -0.2472 -2.2914 1.0934 H 0 0 0 0 0 -1.4618 2.9504 0.8990 H 0 0 0 0 0 -4.7115 -2.0141 -0.7213 H 0 0 0 0 0 -6.3652 -0.1930 -0.7032 H 0 0 0 0 0 -3.3350 2.5779 0.4425 H 0 0 0 0 0 3.4821 0.2490 -0.9965 O 0 0 0 0 0 5.2295 0.8947 0.1929 O 0 0 0 0 0 5.8806 1.2972 -1.0411 C 0 0 0 0 0 0.9283 -4.4683 0.9320 H 0 0 0 0 0 6.8663 1.7044 -0.8157 H 0 0 0 0 0 5.9854 0.4317 -1.6952 H 0 0 0 0 0 5.2778 2.0575 -1.5389 H 0 0 0 0 0 16 5 2 0 0 0 16 17 1 0 0 0 5 15 1 0 0 0 13 12 1 0 0 0 13 14 2 0 0 0 12 11 1 0 0 0 17 4 2 0 0 0 15 14 1 0 0 0 15 18 2 0 0 0 14 1 1 0 0 0 10 8 2 0 0 0 4 18 1 0 0 0 11 1 2 0 0 0 11 7 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 7 3 1 0 0 0 2 9 1 0 0 0 6 3 1 0 0 0 2 19 1 0 0 0 2 20 1 0 0 0 3 21 1 0 0 0 3 22 1 0 0 0 4 23 1 0 0 0 5 24 1 0 0 0 9 25 1 0 0 0 9 26 1 0 0 0 13 27 1 0 0 0 16 28 1 0 0 0 17 29 1 0 0 0 18 30 1 0 0 0 6 31 2 0 0 0 6 32 1 0 0 0 32 33 1 0 0 0 2 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 33 37 1 0 0 0 M END $$$$