B3BMG0 -OEChem-04012113223D 52 55 0 0 0 0 0 0 0999 V2000 -8.5651 -1.2440 -0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 2.1180 -0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6709 0.1722 -0.0803 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3562 -2.0740 -0.1801 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 1.1179 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 0.1917 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 2.5284 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 0.7793 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 3.0387 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 0.5753 -1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 2.6444 0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 -0.5320 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -0.2254 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 -1.8464 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.7730 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8843 -1.2520 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -2.8730 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4731 -2.5756 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 1.0610 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 0.2121 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2955 -0.0839 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 -1.4638 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 0.7805 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 -1.1855 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 -2.0464 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3611 -1.0657 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 1.4751 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 1.1886 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -0.7861 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 0.0197 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 2.5295 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 3.2190 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 0.0744 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 0.8099 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 3.1801 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3184 4.0230 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0362 1.3770 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 0.2312 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 2.7620 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 3.6387 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5118 0.8024 0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 -2.0926 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7489 -1.0205 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0432 -3.9040 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 -3.3750 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3783 1.8542 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 -1.6122 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7282 -3.1200 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 -3.0728 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0551 1.9672 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3685 1.3836 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 2.0691 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 14 17 2 0 0 0 0 14 42 1 0 0 0 0 15 19 3 0 0 0 0 16 18 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 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 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END $$$$