CDJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 30 32 0 0 0 0 0 0 0 0999 V2000 3.7533 0.2503 -0.0046 C 0 0 0 0 0 3.3587 -1.0804 -0.0019 C 0 0 0 0 0 2.0178 -1.4189 0.0006 C 0 0 0 0 0 1.0488 -0.4018 0.0003 C 0 0 0 0 0 1.4592 0.9506 -0.0014 C 0 0 0 0 0 2.8190 1.2629 -0.0039 C 0 0 0 0 0 1.6311 -2.7588 0.0014 N 0 0 0 0 0 0.4299 1.9965 -0.0017 C 0 0 0 0 0 -0.8692 1.6333 0.0007 N 0 0 0 0 0 0.7432 3.1738 -0.0025 O 0 0 0 0 0 -2.6832 -0.0261 0.0039 C 0 0 0 0 0 -3.6401 0.9912 0.0036 C 0 0 0 0 0 -4.9820 0.6717 -0.0009 C 0 0 0 0 0 -5.3811 -0.6554 -0.0042 C 0 0 0 0 0 -4.4367 -1.6680 -0.0039 C 0 0 0 0 0 -3.0914 -1.3613 -0.0004 C 0 0 0 0 0 -7.0710 -1.0498 -0.0089 CL 0 0 0 0 0 -1.2445 0.3096 0.0025 C 0 0 0 0 0 -0.3359 -0.6967 0.0018 C 0 0 0 0 0 4.8055 0.4950 -0.0012 H 0 0 0 0 0 4.1066 -1.8603 -0.0026 H 0 0 0 0 0 3.1386 2.2941 -0.0057 H 0 0 0 0 0 2.3032 -3.4582 0.0006 H 0 0 0 0 0 0.6894 -2.9918 0.0030 H 0 0 0 0 0 -0.6690 -1.7243 0.0035 H 0 0 0 0 0 -1.5540 2.3202 0.0005 H 0 0 0 0 0 -3.3309 2.0253 0.0068 H 0 0 0 0 0 -2.3565 -2.1515 -0.0001 H 0 0 0 0 0 -5.7234 1.4563 -0.0001 H 0 0 0 0 0 -4.7532 -2.6999 -0.0051 H 0 0 0 0 0 1 2 1 0 0 0 1 6 2 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 3 7 1 0 0 0 4 5 2 0 0 0 4 19 1 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 18 1 0 0 0 11 12 1 0 0 0 11 16 2 0 0 0 11 18 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 17 1 0 0 0 15 16 1 0 0 0 18 19 2 0 0 0 1 20 1 0 0 0 2 21 1 0 0 0 6 22 1 0 0 0 7 23 1 0 0 0 7 24 1 0 0 0 19 25 1 0 0 0 9 26 1 0 0 0 12 27 1 0 0 0 16 28 1 0 0 0 13 29 1 0 0 0 15 30 1 0 0 0 M END $$$$