B1JPL8 -OEChem-04022110153D 49 49 0 1 0 0 0 0 0999 V2000 -0.9135 -1.5229 -1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 2.5190 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9115 -1.9031 0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 -0.5969 1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 1.1973 1.0706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 -2.9314 -0.4530 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.3480 0.3255 -0.4132 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 -2.8697 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 -1.8305 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.0497 0.0153 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9934 -1.5668 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -1.7931 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 -1.7303 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -4.2171 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -0.4493 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 0.8681 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -0.7327 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -1.3347 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 1.3334 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 1.9022 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 0.3012 1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 1.6188 0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 3.6579 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 4.8577 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 5.9469 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9451 -3.8036 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -2.6761 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -0.9024 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -2.0215 1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 -1.0544 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 -1.3142 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6247 -2.4582 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 -2.8182 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 -1.4937 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -4.3178 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 -5.0408 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 -4.3708 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 0.5672 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 1.1017 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -1.7549 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 2.9282 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 0.0807 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 2.4239 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6092 -1.6494 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 3.7894 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 3.4928 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 4.8362 -1.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 6.7884 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 6.0197 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 44 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 38 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 17 21 2 0 0 0 0 17 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END $$$$