BW35JM -OEChem-04012116472D 65 68 0 1 0 0 0 0 0999 V2000 3.2044 -3.1654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 6.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 4.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 4.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 6.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 7.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -3.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 -2.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 0.0707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8646 1.0217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 0.0707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -3.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -5.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -4.9925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 4.1095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0555 4.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7876 4.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0555 5.6095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7876 5.6095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1895 6.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 7.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 -1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -2.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -4.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 -6.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -5.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -6.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 -7.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 -6.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 3.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 3.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 3.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 6.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 6.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 6.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9774 5.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 4.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 4.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 3.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 7.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 7.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 7.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0336 7.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 1.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 -1.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 -3.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -7.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 -7.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 -7.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7561 -7.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 -6.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0357 -6.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 -5.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 16 3 1 1 0 0 0 3 22 1 0 0 0 0 17 4 1 1 0 0 0 4 45 1 0 0 0 0 18 5 1 6 0 0 0 5 46 1 0 0 0 0 20 6 1 1 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 49 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 13 32 1 0 0 0 0 13 58 1 0 0 0 0 14 32 1 0 0 0 0 14 33 2 0 0 0 0 15 32 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 1 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 M END $$$$