C3E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 -2.8062 3.6544 3.0945 CL 0 0 0 0 0 -1.8899 2.8486 1.8594 C 0 0 0 0 0 -0.6770 2.2653 2.1729 C 0 0 0 0 0 0.0444 1.6119 1.1902 C 0 0 0 0 0 1.3612 0.9647 1.5434 C 0 0 0 0 0 -0.4410 1.5472 -0.1011 C 0 0 0 0 0 -1.6519 2.1309 -0.4196 C 0 0 0 0 0 -2.3796 2.7888 0.5617 C 0 0 0 0 0 -3.5586 3.3849 0.2505 O 0 0 0 0 0 -4.5485 2.5994 -0.4182 C 0 0 0 0 0 -4.3681 1.1527 -0.0452 C 0 0 0 0 0 -4.7369 0.2048 -0.8694 C 0 0 0 0 0 -4.4646 -1.2387 -0.5080 C 0 0 0 0 0 -3.1933 -1.3091 0.1338 O 0 0 0 0 0 -2.6295 -2.5236 0.3202 C 0 0 0 0 0 -3.3753 -3.6884 0.2580 C 0 0 0 0 0 -2.7726 -4.9107 0.4871 C 0 0 0 0 0 -1.4216 -4.9780 0.7851 C 0 0 0 0 0 -0.6588 -3.8307 0.8398 C 0 0 0 0 0 -1.2538 -2.5919 0.5951 C 0 0 0 0 0 -0.4648 -1.3489 0.6123 C 0 0 0 0 0 -0.9662 -0.3062 0.2389 O 0 0 0 0 0 0.8329 -1.3663 1.0491 N 0 0 0 0 0 1.6228 -0.2155 0.6107 C 0 0 0 0 0 3.0884 -0.5664 0.6502 C 0 0 0 0 0 3.4709 -1.4957 1.3285 O 0 0 0 0 0 3.9724 0.1538 -0.0687 N 0 0 0 0 0 5.3972 -0.1863 -0.0299 C 0 0 0 0 0 5.8938 -0.6926 1.2587 C 0 0 0 0 0 6.2782 -1.0833 2.2545 N 0 0 0 0 0 6.3496 0.6676 -0.8690 C 0 0 0 0 0 6.0196 -0.7629 -1.3033 C 0 0 0 0 0 -0.2933 2.3196 3.1812 H 0 0 0 0 0 2.1637 1.6943 1.4374 H 0 0 0 0 0 1.3258 0.6106 2.5729 H 0 0 0 0 0 0.1279 1.0373 -0.8647 H 0 0 0 0 0 -2.0305 2.0769 -1.4298 H 0 0 0 0 0 -5.5424 2.9314 -0.1168 H 0 0 0 0 0 -4.4383 2.7144 -1.4963 H 0 0 0 0 0 -3.9335 0.8997 0.9118 H 0 0 0 0 0 -5.2028 0.4466 -1.8092 H 0 0 0 0 0 -5.2382 -1.6004 0.1696 H 0 0 0 0 0 -4.4547 -1.8480 -1.4113 H 0 0 0 0 0 -4.4307 -3.6414 0.0307 H 0 0 0 0 0 -3.3574 -5.8170 0.4353 H 0 0 0 0 0 -0.9618 -5.9358 0.9759 H 0 0 0 0 0 0.3945 -3.8894 1.0723 H 0 0 0 0 0 1.1965 -2.0774 1.6001 H 0 0 0 0 0 1.3388 0.0548 -0.4068 H 0 0 0 0 0 3.6659 0.8981 -0.6110 H 0 0 0 0 0 5.9170 1.4818 -1.4493 H 0 0 0 0 0 7.3455 0.8534 -0.4665 H 0 0 0 0 0 6.7976 -1.5167 -1.1858 H 0 0 0 0 0 5.3701 -0.8884 -2.1696 H 0 0 0 0 0 32 31 1 0 0 0 32 28 1 0 0 0 31 28 1 0 0 0 30 29 3 0 0 0 29 28 1 0 0 0 28 27 1 0 0 0 26 25 2 0 0 0 27 25 1 0 0 0 25 24 1 0 0 0 19 18 2 0 0 0 19 20 1 0 0 0 18 17 1 0 0 0 24 23 1 0 0 0 24 5 1 0 0 0 23 21 1 0 0 0 21 22 2 0 0 0 21 20 1 0 0 0 20 15 2 0 0 0 17 16 2 0 0 0 5 4 1 0 0 0 15 16 1 0 0 0 15 14 1 0 0 0 4 6 2 0 0 0 4 3 1 0 0 0 14 13 1 0 0 0 6 7 1 0 0 0 3 2 2 0 0 0 13 12 1 0 0 0 7 8 2 0 0 0 2 8 1 0 0 0 2 1 1 0 0 0 12 11 2 0 0 0 8 9 1 0 0 0 11 10 1 0 0 0 9 10 1 0 0 0 3 33 1 0 0 0 5 34 1 0 0 0 5 35 1 0 0 0 6 36 1 0 0 0 7 37 1 0 0 0 10 38 1 0 0 0 10 39 1 0 0 0 11 40 1 0 0 0 12 41 1 0 0 0 13 42 1 0 0 0 13 43 1 0 0 0 16 44 1 0 0 0 17 45 1 0 0 0 18 46 1 0 0 0 19 47 1 0 0 0 23 48 1 0 0 0 24 49 1 0 0 0 27 50 1 0 0 0 31 51 1 0 0 0 31 52 1 0 0 0 32 53 1 0 0 0 32 54 1 0 0 0 M END $$$$