JQS Converted by convert_cif2sdf.py 2024/03/01 05:07:52 39 40 0 0 0 0 0 0 0 0999 V2000 3.6386 0.9197 0.8408 C 0 0 0 0 0 1.5040 1.1468 1.1557 C 0 0 0 0 0 0.3658 -2.0118 0.6956 C 0 0 0 0 0 -1.4809 -3.5016 0.1082 O 0 0 0 0 0 5.0808 1.1569 0.9198 C 0 0 0 0 0 5.5557 2.1835 1.6556 O 0 0 0 0 0 1.0406 -3.1503 0.1562 O 0 0 0 0 0 0.5912 -0.7736 -0.2009 C 0 0 0 0 0 3.8209 -0.8434 -1.8983 C 0 0 0 0 0 -1.1639 -2.2255 0.6691 C 0 0 0 0 0 -1.6854 -1.0910 -0.2402 C 0 0 0 0 0 -3.0210 -0.5601 0.2851 C 0 0 0 0 0 3.0052 -0.0988 0.1283 C 0 0 0 0 0 2.6664 1.6469 1.4505 N 0 0 0 0 0 1.6622 0.0628 0.3453 N 0 0 0 0 0 3.5997 -1.0564 -0.6277 N 0 0 0 0 0 3.4550 0.3416 -2.4642 N 0 0 0 0 0 -3.5429 0.4051 -0.6300 O 0 0 0 0 0 -4.8228 2.1081 0.9106 O 0 0 0 0 0 -5.2742 2.0824 -1.6799 O 0 0 0 0 0 -6.0190 0.1805 -0.1963 O 0 0 0 0 0 -0.6661 -0.0638 -0.1708 O 0 0 0 0 0 5.8508 0.4288 0.3237 O 0 0 0 0 0 -4.9389 1.1725 -0.3949 P 0 0 0 0 0 0.5562 1.5279 1.5059 H 0 0 0 0 0 0.7064 -1.8140 1.7127 H 0 0 0 0 0 -1.1248 -4.2498 0.6077 H 0 0 0 0 0 6.5194 2.2605 1.6478 H 0 0 0 0 0 0.9094 -3.9620 0.6641 H 0 0 0 0 0 0.8318 -1.0809 -1.2187 H 0 0 0 0 0 4.2935 -1.6057 -2.4992 H 0 0 0 0 0 -1.5793 -2.1371 1.6722 H 0 0 0 0 0 -1.7955 -1.4451 -1.2645 H 0 0 0 0 0 -3.7268 -1.3848 0.3843 H 0 0 0 0 0 -2.8686 -0.0928 1.2584 H 0 0 0 0 0 3.0298 1.0267 -1.9238 H 0 0 0 0 0 3.6193 0.5007 -3.4064 H 0 0 0 0 0 -4.1336 2.7832 0.8510 H 0 0 0 0 0 -6.1033 2.5748 -1.6069 H 0 0 0 0 0 21 24 2 0 0 0 24 19 1 0 0 0 24 20 1 0 0 0 24 18 1 0 0 0 18 12 1 0 0 0 12 11 1 0 0 0 22 11 1 0 0 0 22 8 1 0 0 0 11 10 1 0 0 0 16 9 2 0 0 0 16 13 1 0 0 0 9 17 1 0 0 0 8 15 1 0 0 0 8 3 1 0 0 0 10 4 1 0 0 0 10 3 1 0 0 0 13 15 1 0 0 0 13 1 2 0 0 0 15 2 1 0 0 0 7 3 1 0 0 0 23 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 1 14 1 0 0 0 2 14 2 0 0 0 2 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 6 28 1 0 0 0 7 29 1 0 0 0 8 30 1 0 0 0 9 31 1 0 0 0 10 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 17 36 1 0 0 0 17 37 1 0 0 0 19 38 1 0 0 0 20 39 1 0 0 0 M END $$$$