B8ROE5 -OEChem-04012119042D 54 57 0 1 0 0 0 0 0999 V2000 4.5274 0.0814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.8311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 -0.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -3.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6201 1.2851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -2.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -0.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 1.4968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9481 2.0256 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9028 2.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2535 2.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2308 3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2694 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -2.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 0.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4513 2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2826 2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2294 3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6392 3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7553 3.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 3.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8103 0.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6861 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7286 1.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8395 2.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3648 1.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1020 1.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -2.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -2.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -0.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 0.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 0.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3134 0.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 0.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9368 -3.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 -3.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 -2.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 25 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 24 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 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 12 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 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$