CR8 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 44 0 0 0 0 0 0 0 0999 V2000 -5.5160 2.1350 0.9247 C 0 0 0 0 0 -4.0974 2.2940 1.3455 C 0 0 0 0 0 -5.7966 1.2786 -0.2592 C 0 0 0 0 0 -4.7950 0.6769 -0.9123 C 0 0 0 0 0 -3.1186 1.6779 0.6696 C 0 0 0 0 0 -3.4139 0.8438 -0.4839 C 0 0 0 0 0 -2.4204 0.2327 -1.1496 C 0 0 0 0 0 -1.0373 0.3351 -0.8076 C 0 0 0 0 0 -0.1525 5.5564 0.8485 C 0 0 0 0 0 -6.4226 2.6934 1.5327 O 0 0 0 0 0 0.4417 4.8672 1.7980 N 0 0 0 0 0 -0.3199 -0.4852 0.0135 C 0 0 0 0 0 0.9399 0.0456 0.0012 N 0 0 0 0 0 0.9134 1.1426 -0.8146 C 0 0 0 0 0 -0.2806 1.3447 -1.3232 N 0 0 0 0 0 1.8121 3.4743 -1.3594 C 0 0 0 0 0 1.1414 4.1714 -0.1977 C 0 0 0 0 0 0.2510 5.1578 -0.3960 N 0 0 0 0 0 1.2615 3.9900 1.1319 C 0 0 0 0 0 -0.5387 -1.4806 0.6814 O 0 5 0 0 0 2.9445 1.4376 -2.1725 N 0 0 0 0 0 2.1126 1.9707 -1.0644 C 0 0 0 0 0 2.2510 0.1848 2.0714 C 0 0 0 0 0 2.1157 -0.4296 0.7053 C 0 0 0 0 0 3.3656 -0.2908 2.6837 O 0 0 0 0 0 1.4913 0.9947 2.5810 O 0 0 0 0 0 -3.8876 2.9179 2.2061 H 0 0 0 0 0 -6.8282 1.1612 -0.5697 H 0 0 0 0 0 -5.0108 0.0538 -1.7744 H 0 0 0 0 0 -2.0864 1.7999 0.9857 H 0 0 0 0 0 -2.6951 -0.3545 -2.0215 H 0 0 0 0 0 -0.8749 6.3465 0.9925 H 0 0 0 0 0 2.7350 4.0261 -1.5895 H 0 0 0 0 0 1.1864 3.5691 -2.2572 H 0 0 0 0 0 -0.0675 5.5408 -1.2768 H 0 0 0 0 0 1.8818 3.2870 1.6699 H 0 0 0 0 0 2.4663 1.1161 -2.9722 H 0 0 0 0 0 3.8900 1.2485 -1.9676 H 0 0 0 0 0 2.7864 1.9509 -0.1808 H 0 0 0 0 0 2.9924 -0.1823 0.0987 H 0 0 0 0 0 2.0339 -1.5181 0.7947 H 0 0 0 0 0 3.4840 0.0942 3.5780 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 10 2 0 0 0 2 5 2 0 0 0 2 27 1 0 0 0 3 4 2 0 0 0 3 28 1 0 0 0 4 6 1 0 0 0 4 29 1 0 0 0 5 6 1 0 0 0 5 30 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 7 31 1 0 0 0 8 12 2 0 0 0 8 15 1 0 0 0 9 11 2 0 0 0 9 18 1 0 0 0 9 32 1 0 0 0 11 19 1 0 0 0 12 13 1 0 0 0 12 20 1 0 0 0 13 14 1 0 0 0 13 24 1 0 0 0 14 15 2 0 0 0 14 22 1 0 0 0 16 17 1 0 0 0 16 22 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 18 35 1 0 0 0 19 36 1 0 0 0 21 22 1 0 0 0 21 37 1 0 0 0 21 38 1 0 0 0 22 39 1 0 0 0 23 24 1 0 0 0 23 26 2 0 0 0 23 25 1 0 0 0 24 40 1 0 0 0 24 41 1 0 0 0 25 42 1 0 0 0 M END $$$$