J2Q Converted by convert_cif2sdf.py 2024/03/29 11:09:15 39 40 0 0 0 0 0 0 0 0999 V2000 -3.6646 1.4358 0.2675 C 0 0 0 0 0 0.3721 0.1693 -0.1539 C 0 0 0 0 0 2.7002 0.6033 0.0310 C 0 0 0 0 0 3.0171 -0.6754 0.4764 C 0 0 0 0 0 4.3248 -1.1097 0.4537 C 0 0 0 0 0 5.3307 -0.2634 -0.0171 C 0 0 0 0 0 -6.7493 -1.3593 -0.4268 C 0 0 0 0 0 -5.7420 -0.2422 -0.1438 C 0 0 0 0 0 -4.4147 -0.7440 -0.3114 O 0 0 0 0 0 -3.3933 0.1278 -0.0956 C 0 0 0 0 0 -2.6298 2.3300 0.4880 C 0 0 0 0 0 -1.3196 1.9256 0.3531 C 0 0 0 0 0 -1.0296 0.6060 -0.0076 C 0 0 0 0 0 0.6206 -0.9792 -0.4679 O 0 0 0 0 0 1.3754 1.0415 0.0608 N 0 0 0 0 0 5.0099 1.0194 -0.4633 C 0 0 0 0 0 3.7010 1.4476 -0.4380 C 0 0 0 0 0 6.7358 -0.7269 -0.0410 C 0 0 0 0 0 7.7284 0.1092 -0.5056 N 0 0 0 0 0 7.0348 -1.9240 0.3759 N 0 0 0 0 0 -2.0754 -0.2951 -0.2417 C 0 0 0 0 0 -1.8055 -1.5751 -0.6028 O 0 0 0 0 0 -4.6884 1.7616 0.3753 H 0 0 0 0 0 2.2384 -1.3295 0.8395 H 0 0 0 0 0 4.5709 -2.1021 0.8003 H 0 0 0 0 0 -7.7619 -0.9760 -0.2988 H 0 0 0 0 0 -6.6207 -1.7143 -1.4491 H 0 0 0 0 0 -6.5820 -2.1829 0.2677 H 0 0 0 0 0 -5.9093 0.5814 -0.8384 H 0 0 0 0 0 -5.8706 0.1128 0.8784 H 0 0 0 0 0 -2.8510 3.3490 0.7670 H 0 0 0 0 0 -0.5178 2.6268 0.5249 H 0 0 0 0 0 1.1781 1.9751 0.2358 H 0 0 0 0 0 5.7856 1.6757 -0.8272 H 0 0 0 0 0 3.4519 2.4417 -0.7795 H 0 0 0 0 0 7.5058 1.0014 -0.8169 H 0 0 0 0 0 8.6500 -0.1937 -0.5216 H 0 0 0 0 0 6.3359 -2.5122 0.7033 H 0 0 0 0 0 -1.7128 -2.1832 0.1433 H 0 0 0 0 0 20 18 2 0 0 0 18 19 1 0 0 0 18 6 1 0 0 0 5 6 2 0 0 0 5 4 1 0 0 0 6 16 1 0 0 0 4 3 2 0 0 0 16 17 2 0 0 0 3 17 1 0 0 0 3 15 1 0 0 0 15 2 1 0 0 0 22 21 1 0 0 0 2 14 2 0 0 0 2 13 1 0 0 0 21 13 2 0 0 0 21 10 1 0 0 0 9 8 1 0 0 0 9 10 1 0 0 0 8 7 1 0 0 0 13 12 1 0 0 0 10 1 2 0 0 0 12 11 2 0 0 0 1 11 1 0 0 0 1 23 1 0 0 0 4 24 1 0 0 0 5 25 1 0 0 0 7 26 1 0 0 0 7 27 1 0 0 0 7 28 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 11 31 1 0 0 0 12 32 1 0 0 0 15 33 1 0 0 0 16 34 1 0 0 0 17 35 1 0 0 0 19 36 1 0 0 0 19 37 1 0 0 0 20 38 1 0 0 0 22 39 1 0 0 0 M END $$$$