D0MD8D -OEChem-03101900402D 42 46 0 1 0 0 0 0 0999 V2000 13.4184 -2.2740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1937 -2.9812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7113 -1.0493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6461 -1.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5547 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 -1.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 -0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 0.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6433 1.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 0.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6168 1.6325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7569 0.1578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0158 1.1237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3802 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 2.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5888 -0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5547 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8135 -2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2618 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7795 -2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2277 -0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4866 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -0.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -0.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 2.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 -0.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 1.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 2.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 3.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7684 0.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3751 -2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1014 0.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9399 -3.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6662 -0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 6 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 1 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 6 0 0 0 15 19 1 0 0 0 0 15 35 1 6 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$