B1QW2K -OEChem-04012114282D 73 78 0 1 0 0 0 0 0999 V2000 6.3849 -6.4207 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0049 0.3391 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 -0.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 -4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5128 -5.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 -0.4269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6477 1.1052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -3.4207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 3.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -6.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 -2.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4660 -1.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0872 -2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6053 -3.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 -1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 -2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2753 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 2.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -4.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -4.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 4.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -4.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -5.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8768 5.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -4.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -6.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -5.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8616 4.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5348 6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5128 -5.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5044 5.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 6.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 6.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 -3.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -0.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -2.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -3.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 -0.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 -1.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -3.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 -3.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -1.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -1.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4864 -3.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 -3.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4204 0.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 0.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 2.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 1.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 2.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 1.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 2.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 3.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 3.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1866 3.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8355 4.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 4.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -3.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -7.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4666 -4.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 -4.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0737 4.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9242 6.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1218 -6.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1150 5.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 7.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 7.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 5 24 2 0 0 0 0 6 36 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 51 1 0 0 0 0 10 23 1 0 0 0 0 10 26 1 0 0 0 0 10 61 1 0 0 0 0 11 32 1 0 0 0 0 11 36 1 0 0 0 0 11 70 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 1 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 6 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 30 2 0 0 0 0 27 64 1 0 0 0 0 28 31 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 36 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 37 1 0 0 0 0 34 68 1 0 0 0 0 35 38 2 0 0 0 0 35 69 1 0 0 0 0 37 39 2 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END $$$$