B5X1TL -OEChem-04012113402D 39 40 0 0 0 0 0 0 0999 V2000 2.8660 -4.7135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 2.1344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 4.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 3.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.3743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.3743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 3.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 3.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 5.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 -0.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 0.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 3.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 2.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6835 5.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 6.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6803 5.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$