D0M8NW -OEChem-10101305022D 42 46 0 0 0 0 0 0 0999 V2000 3.5297 2.0737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 4.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 -0.9049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -0.8928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 1.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 2.6019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 -1.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 -0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 -2.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -3.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 -4.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 3.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 4.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 0.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 1.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 2.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 1.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 -3.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -3.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -2.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 -2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 2.7137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -4.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0174 -3.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 2.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 3.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 4.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 4.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 25 2 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 3 29 1 0 0 0 0 4 11 2 0 0 0 0 4 21 1 0 0 0 0 5 15 1 0 0 0 0 5 22 2 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 20 2 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$