BP9BA1 -OEChem-04022117163D 49 52 0 1 0 0 0 0 0999 V2000 -6.9206 -1.1565 -1.3588 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 0.6385 0.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7327 1.7693 -0.1297 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3116 3.3889 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -1.4180 0.1768 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1738 -2.4241 -0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 2.1870 -0.2891 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1607 -2.2801 0.5529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0956 -3.4299 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -1.0570 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 -2.8400 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -0.5288 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 -1.2944 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4366 -1.4678 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -0.9698 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 0.8121 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 -0.3114 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 -0.0700 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 1.7121 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 -0.3372 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 1.2711 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7508 0.6717 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9891 0.3460 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2718 -1.3754 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6438 1.8813 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1086 1.1887 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7525 2.7190 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9708 2.3746 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -2.2182 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -4.3379 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -3.6811 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -0.8833 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -0.1677 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 -2.9761 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -3.3307 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -3.2919 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -1.1935 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 -0.3577 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 -1.5282 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 -2.3942 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 -2.0023 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 1.1966 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 -0.4483 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 2.7491 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 -2.2618 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 2.1901 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0665 0.9270 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6581 3.6445 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8274 3.0326 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$