CCR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 81 83 0 0 0 0 0 0 0 0999 V2000 1.4526 3.5949 -0.1138 S 0 0 0 0 0 1.7683 4.4249 -1.2236 O 0 0 0 0 0 1.4266 4.0653 1.2267 O 0 0 0 0 0 2.6021 2.2595 -0.1496 C 0 0 0 0 0 3.2877 1.9700 -1.3143 C 0 0 0 0 0 4.1896 0.9234 -1.3452 C 0 0 0 0 0 4.4066 0.1622 -0.2054 C 0 0 0 0 0 3.7162 0.4546 0.9623 C 0 0 0 0 0 2.8207 1.5057 0.9894 C 0 0 0 0 0 3.0515 2.7967 -2.5518 C 0 0 0 0 0 4.9363 0.6078 -2.6149 C 0 0 0 0 0 2.0757 1.8278 2.2593 C 0 0 0 0 0 5.2917 -0.8676 -0.2331 O 0 0 0 0 0 5.4645 -1.6077 0.9767 C 0 0 0 0 0 -0.0465 2.9589 -0.4162 N 0 0 0 0 0 -0.6727 2.0643 0.5599 C 0 0 0 0 0 -0.4791 0.6341 0.1262 C 0 0 0 0 0 0.1232 0.3869 -0.8974 O 0 0 0 0 0 -2.1683 2.3721 0.6485 C 0 0 0 0 0 -2.3646 3.7510 1.2241 C 0 0 0 0 0 -1.4064 4.4501 1.4564 O 0 0 0 0 0 -3.6024 4.2028 1.4785 O 0 0 0 0 0 -0.9752 -0.3700 0.8762 N 0 0 0 0 0 -0.7869 -1.7607 0.4544 C 0 0 0 0 0 0.5530 -2.2552 0.9373 C 0 0 0 0 0 1.0994 -1.7094 1.8722 O 0 0 0 0 0 -1.8959 -2.6292 1.0511 C 0 0 0 0 0 -3.2240 -2.2191 0.4674 C 0 0 0 0 0 -3.6860 -2.8269 -0.6861 C 0 0 0 0 0 -3.9774 -1.2415 1.0915 C 0 0 0 0 0 -4.9029 -2.4592 -1.2215 C 0 0 0 0 0 -5.1970 -0.8663 0.5651 C 0 0 0 0 0 -5.6679 -1.4747 -0.5974 C 0 0 0 0 0 -6.9755 -1.0760 -1.1681 C 0 0 0 0 0 -7.4127 -1.6453 -2.2545 N 0 0 0 0 0 -7.7290 -0.1024 -0.5492 N 0 0 0 0 0 1.1429 -3.3027 0.3290 N 0 0 0 0 0 2.4083 -3.8489 0.8390 C 0 0 0 0 0 2.2387 -5.3532 1.0712 C 0 0 0 0 0 1.7453 -6.0117 -0.2198 C 0 0 0 0 0 0.3850 -5.4254 -0.6048 C 0 0 0 0 0 0.5303 -3.9257 -0.8524 C 0 0 0 0 0 3.8834 -0.1362 1.8513 H 0 0 0 0 0 3.7473 3.6364 -2.5662 H 0 0 0 0 0 3.2093 2.1800 -3.4371 H 0 0 0 0 0 2.0292 3.1724 -2.5480 H 0 0 0 0 0 5.8689 1.1720 -2.6380 H 0 0 0 0 0 5.1560 -0.4582 -2.6522 H 0 0 0 0 0 4.3253 0.8836 -3.4743 H 0 0 0 0 0 1.0706 1.4074 2.2077 H 0 0 0 0 0 2.6050 1.3994 3.1105 H 0 0 0 0 0 2.0109 2.9089 2.3785 H 0 0 0 0 0 5.8154 -0.9401 1.7642 H 0 0 0 0 0 4.5116 -2.0487 1.2723 H 0 0 0 0 0 6.1970 -2.3988 0.8176 H 0 0 0 0 0 -0.5099 3.1798 -1.2393 H 0 0 0 0 0 -0.2122 2.2126 1.5372 H 0 0 0 0 0 -2.6073 2.3288 -0.3482 H 0 0 0 0 0 -2.6542 1.6378 1.2905 H 0 0 0 0 0 -3.6783 5.0928 1.8475 H 0 0 0 0 0 -1.4558 -0.1732 1.6949 H 0 0 0 0 0 -0.8251 -1.8194 -0.6336 H 0 0 0 0 0 -1.9177 -2.4970 2.1331 H 0 0 0 0 0 -1.7037 -3.6766 0.8169 H 0 0 0 0 0 -3.0925 -3.5892 -1.1690 H 0 0 0 0 0 -3.6119 -0.7712 1.9918 H 0 0 0 0 0 -5.2634 -2.9335 -2.1229 H 0 0 0 0 0 -5.7847 -0.1029 1.0531 H 0 0 0 0 0 -8.2690 -1.3839 -2.6276 H 0 0 0 0 0 -7.4027 0.3218 0.2598 H 0 0 0 0 0 -8.5853 0.1590 -0.9222 H 0 0 0 0 0 3.1999 -3.6787 0.1096 H 0 0 0 0 0 2.6644 -3.3612 1.7797 H 0 0 0 0 0 3.1964 -5.7879 1.3574 H 0 0 0 0 0 1.5107 -5.5196 1.8653 H 0 0 0 0 0 2.4608 -5.8242 -1.0196 H 0 0 0 0 0 1.6473 -7.0860 -0.0644 H 0 0 0 0 0 0.0230 -5.9121 -1.5115 H 0 0 0 0 0 -0.3259 -5.5916 0.2055 H 0 0 0 0 0 -0.4521 -3.4881 -1.0278 H 0 0 0 0 0 1.1658 -3.7616 -1.7225 H 0 0 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 28 27 1 0 0 0 29 31 1 0 0 0 29 65 1 0 0 0 31 33 2 0 0 0 31 67 1 0 0 0 32 30 2 0 0 0 32 33 1 0 0 0 32 68 1 0 0 0 30 66 1 0 0 0 33 34 1 0 0 0 34 36 1 0 0 0 34 35 2 0 0 0 36 70 1 0 0 0 36 71 1 0 0 0 35 69 1 0 0 0 27 24 1 0 0 0 27 63 1 0 0 0 27 64 1 0 0 0 24 23 1 0 0 0 24 25 1 0 0 0 24 62 1 0 0 0 23 17 1 0 0 0 23 61 1 0 0 0 25 26 2 0 0 0 25 37 1 0 0 0 37 38 1 0 0 0 37 42 1 0 0 0 38 39 1 0 0 0 38 72 1 0 0 0 38 73 1 0 0 0 39 40 1 0 0 0 39 74 1 0 0 0 39 75 1 0 0 0 40 41 1 0 0 0 40 76 1 0 0 0 40 77 1 0 0 0 41 42 1 0 0 0 41 78 1 0 0 0 41 79 1 0 0 0 42 80 1 0 0 0 42 81 1 0 0 0 15 1 1 0 0 0 15 16 1 0 0 0 15 56 1 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 4 5 2 0 0 0 4 9 1 0 0 0 5 6 1 0 0 0 5 10 1 0 0 0 6 7 2 0 0 0 6 11 1 0 0 0 7 8 1 0 0 0 7 13 1 0 0 0 8 9 2 0 0 0 8 43 1 0 0 0 9 12 1 0 0 0 10 44 1 0 0 0 10 45 1 0 0 0 10 46 1 0 0 0 11 47 1 0 0 0 11 48 1 0 0 0 11 49 1 0 0 0 12 50 1 0 0 0 12 51 1 0 0 0 12 52 1 0 0 0 13 14 1 0 0 0 14 53 1 0 0 0 14 54 1 0 0 0 14 55 1 0 0 0 16 19 1 0 0 0 16 17 1 0 0 0 16 57 1 0 0 0 19 20 1 0 0 0 19 58 1 0 0 0 19 59 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 22 60 1 0 0 0 17 18 2 0 0 0 M END $$$$