D0AL2K -OEChem-05152010102D 60 64 0 0 0 0 0 0 0999 V2000 3.2220 -2.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -2.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -1.6063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 2.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 4.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.9033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 3.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -3.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -1.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0698 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 -0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7022 1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 3.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 2.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 -3.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 -3.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 -4.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -4.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 -0.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -0.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -1.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 -1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6216 -1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 0.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5818 -0.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3189 1.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 2.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 5.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5391 3.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 5.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 31 2 0 0 0 0 5 7 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 60 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$