BJAG15 -OEChem-04022116363D 50 52 0 0 0 0 0 0 0999 V2000 -5.4333 -2.5698 -0.3971 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 1.7789 -0.4195 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 2.9055 0.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 -3.4268 -0.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 -1.9554 -1.7038 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7214 -1.2213 -0.2608 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 -1.3940 0.8528 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -1.4192 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1052 -2.1251 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2859 -2.9294 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -3.3938 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 0.1645 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 0.4219 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 2.0586 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 1.2846 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 3.1172 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 2.6278 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 1.5693 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 3.4019 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 1.8426 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3952 -0.2985 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 -0.2201 1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 0.6936 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 0.8504 1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 1.7643 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -3.5276 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7281 -1.0466 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 -0.9304 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 -1.7447 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -2.3205 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 -3.3955 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1023 -3.2044 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 -3.9194 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 -4.0823 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3566 0.4618 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 0.8344 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9628 0.2367 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -0.2564 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 0.4732 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 3.7232 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 0.9684 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 4.2275 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 -0.9858 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 0.6536 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2689 -1.7737 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 0.8979 1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 2.5357 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -3.9002 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -2.9060 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -4.3684 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 7 45 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$