B3GRA8 -OEChem-04022115423D 48 53 0 1 0 0 0 0 0999 V2000 3.0170 2.6159 -1.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 2.8003 1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 -0.5585 -1.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 -1.8458 -0.2313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 1.6108 0.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 -1.6287 1.4097 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 3.8682 0.0059 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 1.7256 -0.9758 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2593 0.3065 0.9649 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3027 0.4144 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -0.6191 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -0.5856 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 2.7423 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 -1.6237 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 2.7729 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.2908 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 4.0380 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -2.2632 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 -2.0886 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 -0.0877 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 -1.0400 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -3.3452 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 4.9901 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4599 -0.6492 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.1701 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -1.5981 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -3.7871 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -1.3843 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -1.3194 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.1989 -1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 0.5284 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 0.5950 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -0.0135 -2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -1.8769 2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 4.2001 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 4.8856 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 0.4809 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 -1.6182 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -1.1948 2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 -3.8271 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 5.8321 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2761 4.7352 0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 5.2656 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1643 -3.5319 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 -2.1777 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -4.6256 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 -2.1553 -2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2411 -0.6723 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 34 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 22 2 0 0 0 0 19 25 1 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$