BHB6G7 -OEChem-04042105293D 42 43 0 0 0 0 0 0 0999 V2000 -5.3380 1.2537 -0.0249 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -3.8375 -0.5732 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 2.6522 0.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2295 0.5242 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 2.6949 0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3758 0.0008 -0.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 -2.7158 0.1779 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -1.2355 0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7722 0.9105 -1.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 0.6881 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 0.9819 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 -0.9748 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 1.7087 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8023 1.9963 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -1.7431 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 -2.5263 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -0.6403 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 0.5208 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 0.6830 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 -1.3978 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 1.2685 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6238 -0.8125 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -0.0336 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2369 1.2003 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 1.5035 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 0.5264 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -0.4886 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -1.6906 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 2.2629 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 1.2253 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5923 1.5242 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 2.7633 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 -2.3013 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -1.1238 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -3.6457 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -0.5354 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4828 1.2727 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 -2.4124 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 2.3062 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -1.4105 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7943 1.6938 -2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5077 0.2108 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 35 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$