039 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 50 0 0 0 0 0 0 0 0999 V2000 -1.1803 3.3333 -2.7342 C 0 0 0 0 0 -1.3509 2.2320 -1.8387 O 0 0 0 0 0 -1.1713 2.7168 -0.5816 C 0 0 0 0 0 -0.8831 4.0587 -0.3889 C 0 0 0 0 0 -0.7011 4.5499 0.8904 C 0 0 0 0 0 -0.8053 3.7052 1.9811 C 0 0 0 0 0 -1.0933 2.3660 1.7974 C 0 0 0 0 0 -1.2832 1.8668 0.5171 C 0 0 0 0 0 -1.5752 0.5087 0.3280 N 0 0 0 0 0 -2.8637 0.0952 0.3165 C 0 0 0 0 0 -3.7809 0.8807 0.4666 O 0 0 0 0 0 -3.1116 -1.3384 0.1147 C 0 0 0 0 0 -4.4028 -1.8665 0.0854 C 0 0 0 0 0 -5.7782 -0.8273 0.2905 CL 0 0 0 0 0 -4.5779 -3.2209 -0.1078 C 0 0 0 0 0 -3.4817 -4.0582 -0.2736 C 0 0 0 0 0 -2.2004 -3.5560 -0.2477 C 0 0 0 0 0 -1.9954 -2.1885 -0.0537 C 0 0 0 0 0 -0.7502 -1.6526 -0.0213 N 0 0 0 0 0 -0.5610 -0.3797 0.1536 C 0 0 0 0 0 0.8551 0.1361 0.1752 C 0 0 0 0 0 2.0036 -1.2423 -0.0630 S 0 0 0 0 0 3.5369 -0.3779 0.0050 C 0 0 0 0 0 4.7569 -1.0644 -0.1304 C 0 0 0 0 0 5.1045 -2.3572 -0.3341 N 0 0 0 0 0 6.4010 -2.4530 -0.3943 C 0 0 0 0 0 6.9661 -1.2230 -0.2397 N 0 0 0 0 0 5.9466 -0.3193 -0.0737 C 0 0 0 0 0 5.8788 0.9941 0.1161 N 0 0 0 0 0 4.7141 1.5940 0.2443 C 0 0 0 0 0 3.5691 0.9380 0.1920 N 0 0 0 0 0 -0.1779 3.7450 -2.6172 H 0 0 0 0 0 -1.3162 2.9910 -3.7596 H 0 0 0 0 0 -1.9189 4.1027 -2.5070 H 0 0 0 0 0 -0.8015 4.7203 -1.2375 H 0 0 0 0 0 -0.4764 5.5956 1.0390 H 0 0 0 0 0 -0.6621 4.0932 2.9784 H 0 0 0 0 0 -1.1738 1.7093 2.6511 H 0 0 0 0 0 -5.5755 -3.6349 -0.1309 H 0 0 0 0 0 -3.6374 -5.1165 -0.4238 H 0 0 0 0 0 -1.3565 -4.2173 -0.3773 H 0 0 0 0 0 0.9894 0.8628 -0.6248 H 0 0 0 0 0 1.0531 0.6124 1.1356 H 0 0 0 0 0 6.9478 -3.3722 -0.5456 H 0 0 0 0 0 7.9152 -1.0226 -0.2449 H 0 0 0 0 0 4.6937 2.6634 0.3972 H 0 0 0 0 0 1 2 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 8 1 0 0 0 4 5 1 0 0 0 4 35 1 0 0 0 5 6 2 0 0 0 5 36 1 0 0 0 6 7 1 0 0 0 6 37 1 0 0 0 7 8 2 0 0 0 7 38 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 20 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 13 2 0 0 0 12 18 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 15 16 2 0 0 0 15 39 1 0 0 0 16 17 1 0 0 0 16 40 1 0 0 0 17 18 2 0 0 0 17 41 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 42 1 0 0 0 21 43 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 23 31 1 0 0 0 24 25 1 0 0 0 24 28 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 26 44 1 0 0 0 27 28 1 0 0 0 27 45 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 30 46 1 0 0 0 M END $$$$