LBS50E -OEChem-05032301052D 54 57 0 1 0 0 0 0 0999 V2000 5.9019 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 3.8059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 1.5676 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5896 2.5187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 0.8632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 -0.6503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -1.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9601 -1.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2053 4.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 4.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 2.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 2.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -2.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 5.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 5.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 3.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7253 4.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 5.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 4.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8135 3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 1.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 -0.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 -0.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6205 0.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8924 0.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 -0.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6033 0.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 -3.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 -3.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 -4.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 -4.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -5.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 21 2 0 0 0 0 8 22 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$