BOT3J2 -OEChem-04012118512D 51 54 0 0 0 0 0 0 0999 V2000 9.7128 -1.3882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4056 2.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1971 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8718 -0.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5867 1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2346 -0.7300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 1.4095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.7004 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4440 2.0094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -3.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -3.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 -2.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2128 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6195 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0044 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6031 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4221 2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6141 0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5976 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9989 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4001 2.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0318 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8069 3.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -4.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1726 -2.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6564 1.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3509 0.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 2.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9785 -0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9620 0.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6688 3.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3569 2.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0017 2.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3733 3.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0591 4.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2405 4.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 20 2 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 32 2 0 0 0 0 8 17 1 0 0 0 0 8 23 2 0 0 0 0 9 24 1 0 0 0 0 9 29 1 0 0 0 0 9 41 1 0 0 0 0 10 19 1 0 0 0 0 11 34 3 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 22 2 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 25 34 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 31 2 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 33 35 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$