HMDB0248962 RDKit 3D BENSULIDE 47 47 0 0 0 0 0 0 0 0999 V2000 -3.0358 3.5114 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 2.0417 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7618 1.8573 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 1.5892 -1.1347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 0.4084 -0.7974 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0476 0.5259 -1.8709 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -1.1463 -0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 -1.2934 -1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 -2.0599 -2.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -1.9179 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 0.8177 1.1437 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -0.5946 1.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 -0.7886 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 -1.9392 1.4608 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 -2.2221 0.5240 S 0 0 0 0 0 6 0 0 0 0 0 0 4.3716 -3.4190 1.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 -2.4683 -0.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -0.7655 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -0.6478 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 0.4811 1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 1.5245 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2586 1.4142 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 0.2718 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 3.6464 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 4.1644 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 3.8271 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 1.4901 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1698 2.3041 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 2.4342 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 0.8048 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -0.2889 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -1.3251 -3.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 -2.9550 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -2.2543 -3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2558 -1.4948 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 -3.0054 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 -1.8958 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 -1.4743 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -0.3218 2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.1045 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -0.9817 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 -1.8289 2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -1.4872 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 0.5407 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 2.4215 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 2.2322 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7543 0.1623 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M END