9KH Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 22 0 0 0 0 0 0 0 0999 V2000 -1.6870 1.1502 -0.0357 C 0 0 0 0 0 -0.3197 1.0755 -0.2989 C 0 0 0 0 0 0.2488 -0.1523 -0.5639 C 0 0 0 0 0 -1.7842 -1.2231 -0.3261 C 0 0 0 0 0 -2.2799 2.3429 0.2243 O 0 0 0 0 0 -0.4837 -1.2507 -0.5715 N 0 0 0 0 0 -2.4277 -0.0255 -0.0512 C 0 0 0 0 0 -2.4956 -2.3787 -0.3457 O 0 0 0 0 0 0.5273 2.3214 -0.2943 C 0 0 0 0 0 1.7254 -0.2418 -0.8499 C 0 0 0 0 0 2.4747 -0.4520 0.4403 C 0 0 0 0 0 1.8718 -0.5221 1.4855 O 0 0 0 0 0 3.8127 -0.5622 0.4293 O 0 0 0 0 0 -2.2965 2.5780 1.1625 H 0 0 0 0 0 -3.4891 -0.0069 0.1483 H 0 0 0 0 0 0.9174 2.4923 0.7098 H 0 0 0 0 0 1.3571 2.2007 -0.9910 H 0 0 0 0 0 -0.0794 3.1746 -0.5974 H 0 0 0 0 0 1.9158 -1.0797 -1.5206 H 0 0 0 0 0 2.0614 0.6831 -1.3187 H 0 0 0 0 0 4.2489 -0.6958 1.2819 H 0 0 0 0 0 -2.5425 -2.8261 0.5099 H 0 0 0 0 0 5 1 1 0 0 0 1 7 2 0 0 0 1 2 1 0 0 0 7 4 1 0 0 0 9 2 1 0 0 0 2 3 2 0 0 0 4 8 1 0 0 0 4 6 2 0 0 0 3 6 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 5 14 1 0 0 0 7 15 1 0 0 0 9 16 1 0 0 0 9 17 1 0 0 0 9 18 1 0 0 0 10 19 1 0 0 0 10 20 1 0 0 0 13 21 1 0 0 0 8 22 1 0 0 0 M END $$$$