BKO9T8 -OEChem-04012113293D 40 41 0 1 0 0 0 0 0999 V2000 4.5613 0.6377 -1.2533 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 0.7638 -0.0107 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 -2.9313 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -0.8023 1.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 -0.4191 -0.6662 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 -2.9705 0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -0.0121 -0.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -0.2412 1.0393 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -0.0290 1.1571 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -0.8158 -0.1483 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6220 -0.0866 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 1.3370 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -2.3269 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.6025 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 2.3532 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 -0.4458 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 -4.1916 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -2.4703 1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8233 2.9180 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 3.6688 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 3.9510 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.0684 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 0.4423 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.5913 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 -0.0955 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 -0.6098 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 -0.1947 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 0.8047 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 2.1448 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1473 -5.0023 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 -4.0271 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 -4.4605 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 -3.3137 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -1.7666 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -1.9881 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 3.1378 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 4.4732 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 4.9752 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 0.2625 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -0.2300 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 13 2 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 27 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 23 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$