J2Z Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 46 0 0 0 0 0 0 0 0999 V2000 4.3417 -1.7027 0.1469 O 0 0 0 0 0 3.5903 -0.7633 0.0383 C 0 0 0 0 0 3.9654 0.7145 0.0178 C 0 0 0 0 0 4.6873 1.0536 1.2027 O 0 0 0 0 0 2.6319 1.5095 -0.0389 C 0 0 0 0 0 1.6262 0.5144 0.5518 C 0 0 0 0 0 2.0998 -0.8130 -0.1115 C 0 0 0 0 0 1.7391 -0.7948 -1.5977 C 0 0 0 0 0 0.1820 0.7067 0.1330 C 0 0 0 0 0 -0.6214 -0.4372 0.7652 C 0 0 0 0 0 -0.1298 -1.7946 0.2841 C 0 0 0 0 0 1.3740 -1.9606 0.5565 C 0 0 0 0 0 -0.3883 2.0256 0.6546 C 0 0 0 0 0 -1.7731 2.2242 0.0387 C 0 0 0 0 0 -2.6158 0.9834 0.1791 C 0 0 0 0 0 -2.0876 -0.2478 0.5062 C 0 0 0 0 0 -3.9824 1.1070 -0.0353 C 0 0 0 0 0 -4.8135 0.0055 0.0698 C 0 0 0 0 0 -6.1499 0.1370 -0.1409 O 0 0 0 0 0 -4.2775 -1.2328 0.3907 C 0 0 0 0 0 -2.9218 -1.3531 0.6061 C 0 0 0 0 0 4.5683 0.9352 -0.8635 H 0 0 0 0 0 5.5309 0.5887 1.2966 H 0 0 0 0 0 2.6915 2.4089 0.5738 H 0 0 0 0 0 2.3728 1.7583 -1.0680 H 0 0 0 0 0 1.7185 0.4674 1.6370 H 0 0 0 0 0 2.1619 -1.6744 -2.0844 H 0 0 0 0 0 0.6545 -0.8048 -1.7088 H 0 0 0 0 0 2.1432 0.1054 -2.0596 H 0 0 0 0 0 0.1010 0.6623 -0.9528 H 0 0 0 0 0 -0.4763 -0.3914 1.8439 H 0 0 0 0 0 -0.6802 -2.5807 0.8018 H 0 0 0 0 0 -0.3022 -1.8809 -0.7885 H 0 0 0 0 0 1.7288 -2.9085 0.1503 H 0 0 0 0 0 1.5467 -1.9315 1.6328 H 0 0 0 0 0 -0.4719 1.9867 1.7410 H 0 0 0 0 0 0.2646 2.8485 0.3649 H 0 0 0 0 0 -2.2716 3.0533 0.5404 H 0 0 0 0 0 -1.6620 2.4624 -1.0192 H 0 0 0 0 0 -4.4003 2.0706 -0.2868 H 0 0 0 0 0 -6.4185 0.0032 -1.0605 H 0 0 0 0 0 -4.9183 -2.0985 0.4707 H 0 0 0 0 0 -2.5039 -2.3166 0.8566 H 0 0 0 0 0 4 3 1 0 0 0 3 5 1 0 0 0 3 2 1 0 0 0 1 2 2 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 8 7 1 0 0 0 6 7 1 0 0 0 6 9 1 0 0 0 7 12 1 0 0 0 13 9 1 0 0 0 13 14 1 0 0 0 9 10 1 0 0 0 12 11 1 0 0 0 14 15 1 0 0 0 10 11 1 0 0 0 10 16 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 16 21 1 0 0 0 17 18 2 0 0 0 21 20 2 0 0 0 18 20 1 0 0 0 18 19 1 0 0 0 3 22 1 0 0 0 4 23 1 0 0 0 5 24 1 0 0 0 5 25 1 0 0 0 6 26 1 0 0 0 8 27 1 0 0 0 8 28 1 0 0 0 8 29 1 0 0 0 9 30 1 0 0 0 10 31 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 13 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 14 39 1 0 0 0 17 40 1 0 0 0 19 41 1 0 0 0 20 42 1 0 0 0 21 43 1 0 0 0 M END $$$$