9TE Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 45 0 0 0 0 0 0 0 0999 V2000 -3.2828 -0.3862 0.6685 C 0 0 0 0 0 -2.3588 -0.5728 -0.3472 C 0 0 0 0 0 -2.5249 0.0771 -1.5629 C 0 0 0 0 0 -4.5335 1.0956 -0.7491 C 0 0 0 0 0 -6.3764 1.5055 1.1848 C 0 0 0 0 0 -0.0542 -0.8248 -0.1114 C 0 0 0 0 0 1.0772 -1.6236 -0.0430 C 0 0 0 0 0 2.3309 -1.0480 -0.0123 C 0 0 0 0 0 1.3379 1.1275 -0.1193 C 0 0 0 0 0 0.0857 0.5559 -0.1421 C 0 0 0 0 0 4.8292 0.2985 0.5744 C 0 0 0 0 0 3.5943 2.3606 0.3829 C 0 0 0 0 0 4.8672 3.2086 0.4198 C 0 0 0 0 0 3.8030 3.4725 -0.6476 C 0 0 0 0 0 -3.6106 0.9082 -1.7598 C 0 0 0 0 0 -4.3722 0.4482 0.4685 C 0 0 0 0 0 -1.2907 -1.3890 -0.1533 O 0 0 0 0 0 -5.2805 0.6320 1.4621 O 0 0 0 0 0 2.4855 0.3290 -0.0631 C 0 0 0 0 0 3.7595 -2.0840 0.1087 S 0 0 0 0 0 5.0397 -1.0228 -0.0546 N 0 0 0 0 0 3.7175 0.9724 -0.0828 N 0 0 0 0 0 3.8000 -2.5784 1.4405 O 0 0 0 0 0 3.7648 -2.9190 -1.0410 O 0 0 0 0 0 -3.1581 -0.8941 1.6139 H 0 0 0 0 0 -1.8045 -0.0667 -2.3547 H 0 0 0 0 0 -5.3819 1.7456 -0.9056 H 0 0 0 0 0 -7.0246 1.5635 2.0601 H 0 0 0 0 0 -5.9988 2.4994 0.9466 H 0 0 0 0 0 -6.9438 1.1200 0.3380 H 0 0 0 0 0 0.9779 -2.6988 -0.0136 H 0 0 0 0 0 1.4353 2.2029 -0.1457 H 0 0 0 0 0 -0.7914 1.1839 -0.1832 H 0 0 0 0 0 4.6001 0.1658 1.6311 H 0 0 0 0 0 5.7320 0.8996 0.4700 H 0 0 0 0 0 2.8524 2.5305 1.1637 H 0 0 0 0 0 4.9631 3.9363 1.2260 H 0 0 0 0 0 5.7963 2.7365 0.1001 H 0 0 0 0 0 4.0324 3.1743 -1.6700 H 0 0 0 0 0 3.2002 4.3740 -0.5440 H 0 0 0 0 0 -3.7387 1.4124 -2.7072 H 0 0 0 0 0 5.8563 -1.2551 -0.5242 H 0 0 0 0 0 10 9 2 0 0 0 10 6 1 0 0 0 14 12 1 0 0 0 14 13 1 0 0 0 9 19 1 0 0 0 17 2 1 0 0 0 17 6 1 0 0 0 12 13 1 0 0 0 12 22 1 0 0 0 1 2 2 0 0 0 1 16 1 0 0 0 18 16 1 0 0 0 18 5 1 0 0 0 2 3 1 0 0 0 16 4 2 0 0 0 6 7 2 0 0 0 3 15 2 0 0 0 4 15 1 0 0 0 19 22 1 0 0 0 19 8 2 0 0 0 22 11 1 0 0 0 7 8 1 0 0 0 8 20 1 0 0 0 11 21 1 0 0 0 23 20 2 0 0 0 20 21 1 0 0 0 20 24 2 0 0 0 1 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 5 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 7 31 1 0 0 0 9 32 1 0 0 0 10 33 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 12 36 1 0 0 0 13 37 1 0 0 0 13 38 1 0 0 0 14 39 1 0 0 0 14 40 1 0 0 0 15 41 1 0 0 0 21 42 1 0 0 0 M END $$$$