B3P6NI -OEChem-04022117213D 43 45 0 1 0 0 0 0 0999 V2000 -4.1178 1.4675 1.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0852 -0.1903 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 0.6241 -0.3318 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4165 1.5780 0.6045 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 0.9513 -1.5564 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 2.2044 -1.4363 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.7652 -0.0208 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1545 -1.3020 1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -0.8110 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 -2.7633 1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 -1.2257 1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 -0.0208 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 -0.0525 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.6418 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -0.8974 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 -1.6859 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 0.7360 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -0.9291 -1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 0.6920 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.1391 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 2.5491 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3864 2.7771 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8557 -1.1554 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -1.3874 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -0.6988 2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -3.1415 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6274 -2.8618 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 -3.4095 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 -0.1959 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 -1.6699 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 -1.7681 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 0.6247 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.2643 -1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -2.3429 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 1.3904 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -1.5735 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 3.5151 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 3.3674 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8465 2.7261 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0846 3.2667 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5037 -2.1677 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8059 -0.9685 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -1.0684 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 21 2 0 0 0 0 5 6 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$