LD5QI9 -OEChem-05022323303D 59 63 0 0 0 0 0 0 0999 V2000 8.7694 -1.2019 1.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6612 1.6861 2.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6925 0.8792 -0.4141 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 -0.0727 -0.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 -2.4241 -0.1359 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 -3.7893 0.1086 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 -2.8699 0.0883 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8995 -0.1159 1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 -0.5610 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0968 0.3366 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 0.5125 0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 1.3830 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 1.8717 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 1.3548 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 0.0739 -1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 2.1670 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 0.4022 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 -0.4049 -1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 1.6882 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 -1.3869 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 -0.1139 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 -1.4431 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 0.7060 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 0.4017 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9199 -2.7048 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7709 0.7975 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 0.5079 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -3.5843 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0725 1.2992 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1678 1.0095 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7708 1.4053 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9933 2.1904 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1475 0.7082 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -0.7935 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2691 -1.4984 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 -0.5300 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1085 0.7408 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 1.3929 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 0.1008 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 1.6235 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 2.3058 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 2.1264 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 2.8012 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 -1.4595 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -0.5600 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 3.1688 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -1.3855 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 2.3390 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6784 1.7772 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 0.7184 1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 0.2031 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -4.4733 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 1.0913 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9433 -2.0830 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 -3.8015 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7834 1.7857 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3041 2.4496 2.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6908 1.4276 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0395 3.1105 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 44 1 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 20 2 0 0 0 0 5 28 1 0 0 0 0 6 25 1 0 0 0 0 6 28 2 0 0 0 0 7 25 1 0 0 0 0 7 54 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 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 45 1 0 0 0 0 16 19 2 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$