BH0KP4 -OEChem-04022109522D 56 58 0 1 0 0 0 0 0999 V2000 7.1134 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 3.6084 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5609 3.5136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 6.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2929 2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 5.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5918 5.0023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 6.0775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6200 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 4.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 4.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 4.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8910 4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8910 5.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6949 4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 5.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 5.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2929 3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7850 3.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7850 5.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6910 3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6910 5.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 5.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 6.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 4.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 3.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 6.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 7.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 4.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 3.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 6.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 6.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 2.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 6.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6220 5.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 4.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0284 4.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7778 2.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7778 6.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2268 3.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2268 5.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1134 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 56 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 3 28 1 0 0 0 0 4 13 2 0 0 0 0 5 27 2 0 0 0 0 10 6 1 1 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 29 2 0 0 0 0 21 25 1 0 0 0 0 21 30 2 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$