D2SPH4 -OEChem-06062108562D 52 55 0 1 0 0 0 0 0999 V2000 2.0000 -1.1762 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1762 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5422 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3238 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5626 -0.5831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -2.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2221 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 0.1213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 0.3293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3085 0.3488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9693 -1.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3705 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1394 1.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 -2.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 -3.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -3.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9823 -1.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0656 -0.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1046 2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 0.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9872 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 2.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 -2.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0349 -3.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 -3.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5783 2.1649 0.0000 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 16 6 1 6 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 $$$$