B4A2PH -OEChem-04022103453D 44 46 0 0 0 0 0 0 0999 V2000 -0.3014 -2.8086 -0.4228 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -1.8228 2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 0.7391 -0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 1.2787 -0.1561 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 -2.1496 -0.3727 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 -0.3827 -0.2694 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 0.3858 -0.2374 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3448 -1.9206 -0.3477 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 3.6497 -0.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 2.4329 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 0.0163 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 2.6095 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -1.0505 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 1.3480 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 -1.6965 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 3.8469 1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 -0.9154 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 -1.7373 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -1.3786 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -1.2638 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 -0.5464 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 3.7354 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9843 -0.0730 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -0.4317 -1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 -3.0515 2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 1.1867 -1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 2.3227 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 3.3373 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 1.7187 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 2.6991 1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 -3.1150 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 2.3858 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 3.9544 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 4.7472 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -1.5319 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -0.2645 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 -1.5729 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -0.0997 -2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -3.3335 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 -3.8525 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 -2.9236 2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 1.8212 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9177 0.3505 -2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 1.8080 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 14 2 0 0 0 0 7 17 1 0 0 0 0 8 17 2 0 0 0 0 8 37 1 0 0 0 0 9 22 3 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 16 22 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$