BTJ31P -OEChem-04022115223D 29 31 0 0 0 0 0 0 0999 V2000 -4.2802 -0.7955 -0.1166 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 0.3031 -0.0104 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 -0.4843 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 -0.7531 -1.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 1.6330 -0.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 1.3067 0.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1078 1.7209 0.1531 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -2.2757 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -0.9617 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 -2.3216 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.2519 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 -1.0094 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 0.2079 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -0.9322 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 0.2792 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 1.4621 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 1.4714 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 0.8971 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 -3.1129 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 -2.4158 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -3.1463 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -2.5153 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -1.8554 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 2.4045 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 2.4171 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 2.7249 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 1.3645 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4423 -0.5523 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 -0.8665 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 15 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$