B17ENH -OEChem-04012116062D 45 48 0 0 0 0 0 0 0999 V2000 9.4651 2.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 0.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9202 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5666 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 -2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8772 -2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1774 2.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7807 3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9987 2.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3135 -1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9806 -0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8168 -3.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4839 -2.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 -3.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 28 1 0 0 0 0 2 45 1 0 0 0 0 3 28 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 11 2 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 25 1 0 0 0 0 20 38 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$