JJA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 64 67 0 0 0 0 0 0 0 0999 V2000 -7.6563 -0.5947 -1.7516 O 0 0 0 0 0 -8.2362 -0.2458 0.6541 O 0 0 0 0 0 -7.3172 -0.5916 -0.3721 S 0 0 0 0 0 -6.7427 -2.2151 0.0019 C 0 0 0 0 0 -6.7947 -2.6852 1.3014 C 0 0 0 0 0 -6.3430 -3.9584 1.5945 C 0 0 0 0 0 -5.8393 -4.7615 0.5892 C 0 0 0 0 0 -5.7872 -4.2924 -0.7102 C 0 0 0 0 0 -6.2440 -3.0213 -1.0051 C 0 0 0 0 0 -6.0269 0.4336 -0.2095 N 0 0 0 0 0 -4.9697 0.3232 -1.0379 C 0 0 0 0 0 -4.9620 -0.5311 -1.9036 O 0 0 0 0 0 -3.8197 1.2378 -0.8932 C 0 0 0 0 0 -2.7254 1.1278 -1.7537 C 0 0 0 0 0 -1.6550 1.9834 -1.6166 C 0 0 0 0 0 -1.6627 2.9544 -0.6224 C 0 0 0 0 0 -2.7500 3.0670 0.2359 C 0 0 0 0 0 -3.8263 2.2188 0.1010 C 0 0 0 0 0 -0.6055 3.7956 -0.4899 O 0 0 0 0 0 -0.6793 4.7709 0.5520 C 0 0 0 0 0 0.5934 5.6205 0.5464 C 0 0 0 0 0 0.5141 6.6642 1.6621 C 0 0 0 0 0 -0.4726 1.8650 -2.5435 C 0 0 0 0 0 0.6053 1.1351 -1.8712 N 0 0 0 0 0 1.7676 0.9085 -2.5135 C 0 0 0 0 0 1.9224 1.3095 -3.6505 O 0 0 0 0 0 2.8553 0.1720 -1.8346 C 0 0 0 0 0 2.6763 -0.2932 -0.5307 C 0 0 0 0 0 3.6878 -0.9843 0.0985 C 0 0 0 0 0 4.8911 -1.2185 -0.5661 C 0 0 0 0 0 5.0721 -0.7542 -1.8688 C 0 0 0 0 0 4.0606 -0.0633 -2.5001 C 0 0 0 0 0 5.9808 -1.9619 0.1135 C 0 0 0 0 0 5.7912 -2.4013 1.3496 N 0 0 0 0 0 6.7399 -3.0713 1.9818 C 0 0 0 0 0 7.9431 -3.3128 1.3349 C 0 0 0 0 0 8.1071 -2.8395 0.0413 C 0 0 0 0 0 7.1192 -2.1756 -0.5331 N 0 0 0 0 0 -7.1878 -2.0572 2.0866 H 0 0 0 0 0 -6.3841 -4.3252 2.6099 H 0 0 0 0 0 -5.4872 -5.7564 0.8184 H 0 0 0 0 0 -5.3931 -4.9195 -1.4955 H 0 0 0 0 0 -6.2029 -2.6545 -2.0195 H 0 0 0 0 0 -6.0331 1.1144 0.4809 H 0 0 0 0 0 -2.7178 0.3728 -2.5265 H 0 0 0 0 0 -2.7525 3.8239 1.0075 H 0 0 0 0 0 -4.6732 2.3102 0.7659 H 0 0 0 0 0 -1.5456 5.4124 0.3888 H 0 0 0 0 0 -0.7758 4.2671 1.5141 H 0 0 0 0 0 1.4587 4.9790 0.7097 H 0 0 0 0 0 0.6899 6.1233 -0.4155 H 0 0 0 0 0 1.4211 7.2691 1.6582 H 0 0 0 0 0 -0.3522 7.3057 1.4989 H 0 0 0 0 0 0.4177 6.1614 2.6241 H 0 0 0 0 0 -0.7692 1.3264 -3.4439 H 0 0 0 0 0 -0.1235 2.8608 -2.8147 H 0 0 0 0 0 0.4820 0.8152 -0.9639 H 0 0 0 0 0 1.7449 -0.1115 -0.0153 H 0 0 0 0 0 3.5498 -1.3444 1.1081 H 0 0 0 0 0 6.0035 -0.9356 -2.3823 H 0 0 0 0 0 4.1986 0.2918 -3.5102 H 0 0 0 0 0 6.5800 -3.4264 2.9888 H 0 0 0 0 0 8.7345 -3.8577 1.8273 H 0 0 0 0 0 9.0317 -3.0105 -0.4902 H 0 0 0 0 0 35 36 2 0 0 0 35 34 1 0 0 0 36 37 1 0 0 0 34 33 2 0 0 0 37 38 2 0 0 0 33 38 1 0 0 0 33 30 1 0 0 0 29 30 2 0 0 0 29 28 1 0 0 0 30 31 1 0 0 0 28 27 2 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 27 25 1 0 0 0 26 25 2 0 0 0 25 24 1 0 0 0 24 23 1 0 0 0 23 15 1 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 7 6 1 0 0 0 9 4 2 0 0 0 6 5 2 0 0 0 15 14 1 0 0 0 15 16 2 0 0 0 19 16 1 0 0 0 19 20 1 0 0 0 21 20 1 0 0 0 21 22 1 0 0 0 14 13 2 0 0 0 4 5 1 0 0 0 4 3 1 0 0 0 16 17 1 0 0 0 10 3 1 0 0 0 10 11 1 0 0 0 13 11 1 0 0 0 13 18 1 0 0 0 3 1 2 0 0 0 3 2 2 0 0 0 17 18 2 0 0 0 11 12 2 0 0 0 5 39 1 0 0 0 6 40 1 0 0 0 7 41 1 0 0 0 8 42 1 0 0 0 9 43 1 0 0 0 10 44 1 0 0 0 14 45 1 0 0 0 17 46 1 0 0 0 18 47 1 0 0 0 20 48 1 0 0 0 20 49 1 0 0 0 21 50 1 0 0 0 21 51 1 0 0 0 22 52 1 0 0 0 22 53 1 0 0 0 22 54 1 0 0 0 23 55 1 0 0 0 23 56 1 0 0 0 24 57 1 0 0 0 28 58 1 0 0 0 29 59 1 0 0 0 31 60 1 0 0 0 32 61 1 0 0 0 35 62 1 0 0 0 36 63 1 0 0 0 37 64 1 0 0 0 M END $$$$