BB28HU -OEChem-04042102003D 29 30 0 0 0 0 0 0 0999 V2000 -2.7445 -0.6900 0.8895 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -2.3962 -0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -0.1631 -0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 2.3605 0.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 0.1396 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8176 0.2412 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 1.2702 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -1.0902 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 1.1712 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 -1.1893 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 -0.0585 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 1.0110 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 -0.0644 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 0.8342 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 -0.5151 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 2.3651 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.2264 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 2.2301 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -1.9798 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 1.6719 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7935 1.3425 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6213 -1.5970 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5574 -0.2714 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3436 -0.0298 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 3.3015 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 0.6770 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 -4.1466 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 -3.4860 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -2.7274 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$