PLS Converted by convert_cif2sdf.py 2024/03/01 05:07:52 39 39 0 0 0 0 0 0 0 0999 V2000 -1.2621 0.6172 -0.6589 N 0 0 0 0 0 -2.1794 1.6369 -0.1352 C 0 0 0 0 0 -2.2943 2.7848 -1.1383 C 0 0 0 0 0 -3.1871 3.7775 -0.6277 O 0 0 0 0 0 -3.5385 1.0243 0.0846 C 0 0 0 0 0 -4.2583 1.4482 0.9582 O 0 0 0 0 0 -3.9497 0.0077 -0.6880 O 0 0 0 0 0 2.0723 -3.0125 -0.8175 N 0 0 0 0 0 0.8180 -3.3433 -0.5861 C 0 0 0 0 0 0.3717 -4.7678 -0.7946 C 0 0 0 0 0 -0.0978 -2.3931 -0.1597 C 0 0 0 0 0 -1.3901 -2.7394 0.0776 O 0 0 0 0 0 0.3293 -1.0827 0.0335 C 0 0 0 0 0 -0.6305 -0.0205 0.5039 C 0 0 0 0 0 1.6557 -0.7791 -0.2215 C 0 0 0 0 0 2.5067 -1.7801 -0.6499 C 0 0 0 0 0 2.1649 0.6257 -0.0333 C 0 0 0 0 0 3.5546 0.6772 -0.3586 O 0 0 0 0 0 4.0299 2.1991 -0.1374 P 0 0 0 0 0 3.8082 2.5841 1.2743 O 0 0 0 0 0 5.5954 2.3293 -0.4881 O 0 0 0 0 0 3.1806 3.1723 -1.0976 O 0 0 0 0 0 -0.5322 1.1096 -1.1512 H 0 0 0 0 0 -1.7962 2.0183 0.8112 H 0 0 0 0 0 -1.3108 3.2280 -1.2975 H 0 0 0 0 0 -2.6775 2.4035 -2.0847 H 0 0 0 0 0 -3.2302 4.4810 -1.2900 H 0 0 0 0 0 -4.8217 -0.3857 -0.5474 H 0 0 0 0 0 0.5015 -5.3281 0.1304 H 0 0 0 0 0 -0.6790 -4.7807 -1.0827 H 0 0 0 0 0 0.9707 -5.2250 -1.5820 H 0 0 0 0 0 -1.8705 -2.6111 -0.7511 H 0 0 0 0 0 -1.3983 -0.4746 1.1298 H 0 0 0 0 0 -0.0883 0.7286 1.0798 H 0 0 0 0 0 3.5430 -1.5480 -0.8501 H 0 0 0 0 0 1.6135 1.3032 -0.6843 H 0 0 0 0 0 2.0245 0.9273 1.0049 H 0 0 0 0 0 5.8388 3.2542 -0.3421 H 0 0 0 0 0 3.3533 2.8879 -2.0056 H 0 0 0 0 0 1 2 1 0 0 0 1 14 1 0 0 0 1 23 1 0 0 0 2 3 1 0 0 0 2 5 1 0 0 0 2 24 1 0 0 0 3 4 1 0 0 0 3 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 7 28 1 0 0 0 8 9 2 0 0 0 8 16 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 10 29 1 0 0 0 10 30 1 0 0 0 10 31 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 12 32 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 33 1 0 0 0 14 34 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 16 35 1 0 0 0 17 18 1 0 0 0 17 36 1 0 0 0 17 37 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 21 38 1 0 0 0 22 39 1 0 0 0 M END $$$$