BK98OT -OEChem-04012115303D 37 40 0 0 0 0 0 0 0999 V2000 1.6477 2.7702 0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -1.4810 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 1.7145 0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 2.1504 -0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 0.0313 0.1876 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 -2.6448 -0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.6837 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 1.5754 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 1.4590 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 2.8323 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.7477 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.4805 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.3021 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 0.9978 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 1.2906 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2985 4.1767 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7148 -1.0841 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 -2.4644 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 -0.5126 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -3.1902 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 0.2330 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 -1.7934 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7394 -0.3021 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 -2.3287 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9693 -1.5831 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 4.5039 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4308 4.9112 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 4.1843 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -0.5013 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 -0.5765 0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7776 -2.9597 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 -4.2684 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3523 1.2296 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8078 -2.3854 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5643 0.2774 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 -3.3261 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -2.0000 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$