C4W Converted by convert_cif2sdf.py 2024/03/29 11:09:15 31 31 0 0 0 0 0 0 0 0999 V2000 -0.8228 0.5914 0.4018 C 0 0 0 0 0 0.1024 1.6581 -0.1921 C 0 0 0 0 0 1.5382 1.3879 0.2683 C 0 0 0 0 0 1.9421 -0.0291 -0.1471 C 0 0 0 0 0 3.3531 -0.3269 0.3621 C 0 0 0 0 0 -3.2356 0.3445 0.6254 C 0 0 0 0 0 -4.6396 0.5543 0.1187 C 0 0 0 0 0 -2.1867 0.7947 -0.0905 N 0 0 0 0 0 -0.3091 2.9506 0.2556 O 0 0 0 0 0 2.4203 2.3343 -0.3380 O 0 0 0 0 0 1.0231 -0.9685 0.4137 O 0 0 0 0 0 3.7754 -1.6032 -0.1239 O 0 0 0 0 0 -0.3273 -0.7951 -0.0194 C 0 0 0 0 0 -3.0508 -0.2279 1.6790 O 0 0 0 0 0 -1.1728 -1.8228 0.5929 N 0 0 0 0 0 -1.7418 -2.5422 -0.0557 N 0 3 0 0 0 -2.3109 -3.2616 -0.7053 N 0 5 0 0 0 -0.8135 0.6666 1.4895 H 0 0 0 0 0 0.0553 1.6152 -1.2804 H 0 0 0 0 0 1.5947 1.4796 1.3537 H 0 0 0 0 0 1.9232 -0.1077 -1.2343 H 0 0 0 0 0 4.0383 0.4414 0.0066 H 0 0 0 0 0 3.3509 -0.3371 1.4526 H 0 0 0 0 0 -4.7529 0.0654 -0.8493 H 0 0 0 0 0 -5.3494 0.1262 0.8272 H 0 0 0 0 0 -4.8325 1.6216 0.0118 H 0 0 0 0 0 -2.3348 1.2530 -0.9328 H 0 0 0 0 0 0.2377 3.6754 -0.0776 H 0 0 0 0 0 3.3484 2.2218 -0.0901 H 0 0 0 0 0 4.6633 -1.8580 0.1608 H 0 0 0 0 0 -0.3751 -0.8837 -1.1041 H 0 0 0 0 0 9 2 1 0 0 0 14 6 2 0 0 0 7 6 1 0 0 0 6 8 1 0 0 0 2 3 1 0 0 0 2 1 1 0 0 0 10 3 1 0 0 0 8 1 1 0 0 0 3 4 1 0 0 0 1 13 1 0 0 0 12 5 1 0 0 0 4 11 1 0 0 0 4 5 1 0 0 0 13 11 1 0 0 0 13 15 1 0 0 0 15 16 2 0 0 0 16 17 2 0 0 0 1 18 1 0 0 0 2 19 1 0 0 0 3 20 1 0 0 0 4 21 1 0 0 0 5 22 1 0 0 0 5 23 1 0 0 0 7 24 1 0 0 0 7 25 1 0 0 0 7 26 1 0 0 0 8 27 1 0 0 0 9 28 1 0 0 0 10 29 1 0 0 0 12 30 1 0 0 0 13 31 1 0 0 0 M END $$$$