C4H Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 55 0 0 0 0 0 0 0 0999 V2000 3.9613 0.3303 -0.6386 C 0 0 0 0 0 4.1161 0.1680 -2.0234 C 0 0 0 0 0 4.5938 1.3865 0.0503 C 0 0 0 0 0 5.3884 2.3003 -0.6395 N 0 0 0 0 0 4.7809 3.6226 -0.4402 C 0 0 0 0 0 6.6893 2.3263 0.0402 C 0 0 0 0 0 4.4148 1.5099 1.4127 C 0 0 0 0 0 3.6240 0.6035 2.1109 C 0 0 0 0 0 3.0074 -0.4293 1.4720 C 0 0 0 0 0 3.1643 -0.5910 0.0851 C 0 0 0 0 0 2.5388 -1.6466 -0.5998 C 0 0 0 0 0 2.7148 -1.7760 -1.9435 C 0 0 0 0 0 3.4997 -0.8701 -2.6537 C 0 0 0 0 0 1.5412 -2.8052 0.2772 S 0 0 0 0 0 0.2433 -1.9774 0.8887 N 0 0 0 0 0 -0.7270 -1.3620 -0.0201 C 0 0 0 0 0 -2.0045 -1.0257 0.7504 C 0 0 0 0 0 -3.0182 -0.3830 -0.1996 C 0 0 0 0 0 -4.2967 -0.0466 0.5709 C 0 0 0 0 0 -5.2670 0.5688 -0.3380 N 0 0 0 0 0 -6.4741 0.9520 0.1238 C 0 0 0 0 0 -6.7569 0.7861 1.2914 O 0 0 0 0 0 -7.4722 1.5843 -0.8111 C 0 0 0 0 0 -8.7505 1.9217 -0.0407 C 0 0 0 0 0 -9.9516 2.6835 -1.1656 S 0 0 0 0 0 1.0123 -3.6825 -0.7074 O 0 0 0 0 0 2.3117 -3.2012 1.4040 O 0 0 0 0 0 4.7217 0.8629 -2.5869 H 0 0 0 0 0 5.3695 4.3760 -0.9644 H 0 0 0 0 0 3.7633 3.6180 -0.8329 H 0 0 0 0 0 4.7579 3.8558 0.6248 H 0 0 0 0 0 7.1821 1.3615 -0.0791 H 0 0 0 0 0 7.3120 3.1087 -0.3953 H 0 0 0 0 0 6.5411 2.5294 1.1013 H 0 0 0 0 0 4.8945 2.3194 1.9425 H 0 0 0 0 0 3.4977 0.7196 3.1768 H 0 0 0 0 0 2.3978 -1.1241 2.0314 H 0 0 0 0 0 2.2364 -2.5900 -2.4668 H 0 0 0 0 0 3.6203 -0.9915 -3.7202 H 0 0 0 0 0 0.1253 -1.9013 1.8482 H 0 0 0 0 0 -0.3039 -0.4491 -0.4398 H 0 0 0 0 0 -0.9609 -2.0572 -0.8272 H 0 0 0 0 0 -2.4276 -1.9387 1.1690 H 0 0 0 0 0 -1.7706 -0.3306 1.5565 H 0 0 0 0 0 -2.5951 0.5300 -0.6183 H 0 0 0 0 0 -3.2521 -1.0781 -1.0057 H 0 0 0 0 0 -4.7198 -0.9595 0.9905 H 0 0 0 0 0 -4.0618 0.6485 1.3780 H 0 0 0 0 0 -5.0405 0.7020 -1.2716 H 0 0 0 0 0 -7.0491 2.4973 -1.2297 H 0 0 0 0 0 -7.7061 0.8892 -1.6172 H 0 0 0 0 0 -9.1736 1.0087 0.3780 H 0 0 0 0 0 -8.5156 2.6167 0.7654 H 0 0 0 0 0 -10.9703 2.8942 -0.3126 H 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 10 1 0 0 0 2 13 2 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 3 7 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 5 31 1 0 0 0 6 32 1 0 0 0 6 33 1 0 0 0 6 34 1 0 0 0 7 8 2 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 8 36 1 0 0 0 9 10 2 0 0 0 9 37 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 14 1 0 0 0 12 13 1 0 0 0 12 38 1 0 0 0 13 39 1 0 0 0 14 15 1 0 0 0 14 26 2 0 0 0 14 27 2 0 0 0 15 16 1 0 0 0 15 40 1 0 0 0 16 17 1 0 0 0 16 41 1 0 0 0 16 42 1 0 0 0 17 18 1 0 0 0 17 43 1 0 0 0 17 44 1 0 0 0 18 19 1 0 0 0 18 45 1 0 0 0 18 46 1 0 0 0 19 20 1 0 0 0 19 47 1 0 0 0 19 48 1 0 0 0 20 21 1 0 0 0 20 49 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 23 50 1 0 0 0 23 51 1 0 0 0 24 25 1 0 0 0 24 52 1 0 0 0 24 53 1 0 0 0 25 54 1 0 0 0 M END $$$$