D2SPH4 -OEChem-06062109013D 52 55 0 1 0 0 0 0 0999 V2000 -6.8525 2.6437 0.2342 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0114 2.8358 -0.9205 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9343 2.7612 1.2562 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7837 -3.8292 -0.5557 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 0.8061 -0.6543 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 0.3021 -1.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0242 -0.6416 1.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 3.4867 -1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 -0.5763 -0.9094 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -1.1001 -0.2618 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -1.5871 -0.9245 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -1.0117 -0.4936 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4123 0.4233 2.5476 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 -3.0512 -0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 2.1746 -1.3233 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 0.7356 0.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9563 0.3319 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5608 2.2542 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -0.8658 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 0.6498 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -0.9691 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 0.0989 1.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 0.4254 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -1.7470 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0966 -0.8485 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -1.7175 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 1.9456 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 -3.1190 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 0.0002 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 -1.6834 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 -3.7239 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 3.0655 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 0.0142 1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 -1.6694 2.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 -0.8206 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 4.0065 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5763 0.8143 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 0.6658 0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 -0.1898 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3993 -1.8698 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6118 -1.6821 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 1.1672 -0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0442 -0.6528 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8723 -2.3583 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7422 0.0526 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 1.0480 2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -4.7988 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 3.1833 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 0.6753 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 -2.3209 3.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -0.8099 3.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 5.0283 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 6 16 1 0 0 0 0 6 43 1 0 0 0 0 7 22 2 0 0 0 0 8 15 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 17 1 0 0 0 0 10 24 1 0 0 0 0 10 41 1 0 0 0 0 11 21 2 0 0 0 0 12 24 2 0 0 0 0 12 26 1 0 0 0 0 13 22 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 26 2 0 0 0 0 14 31 1 0 0 0 0 15 27 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 42 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 27 32 1 0 0 0 0 28 31 2 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 44 1 0 0 0 0 31 47 1 0 0 0 0 32 36 2 0 0 0 0 32 48 1 0 0 0 0 33 35 1 0 0 0 0 33 49 1 0 0 0 0 34 35 2 0 0 0 0 34 50 1 0 0 0 0 35 51 1 0 0 0 0 36 52 1 0 0 0 0 M END $$$$