BG7KT4 -OEChem-04022115233D 39 41 0 0 0 0 0 0 0999 V2000 -5.9674 0.7897 0.0052 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6534 0.5724 -1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 0.5480 1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -1.3174 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 -1.4197 -0.0006 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4329 -2.7062 0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 0.4483 0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 2.7239 -0.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 2.1595 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 2.3741 0.0247 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9665 -1.5711 0.0064 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9368 0.5739 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 -0.1575 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5345 -1.5518 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 1.8269 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -0.2247 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 0.8514 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 0.5060 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3463 -2.2825 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 -1.6191 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -0.0905 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 -0.5771 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 2.0057 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -0.4199 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 -2.2928 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 0.8504 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 1.5867 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -3.3693 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.2526 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 1.4643 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -1.5577 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 3.7345 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 2.9933 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4204 -2.0696 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4112 -2.0529 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6738 -3.3775 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 0.9851 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 2.9175 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 2.9361 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 4 21 2 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 17 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 22 24 2 0 0 0 0 22 31 1 0 0 0 0 23 26 2 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$