D0T7TB -OEChem-10101305022D 42 42 0 1 0 0 0 0 0999 V2000 5.9331 0.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0351 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 -0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 -2.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 1.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 2.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9011 0.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 -2.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 -0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 2.5521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0921 -0.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4011 -1.4867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4011 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7101 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9011 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -0.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7671 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9951 0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1196 -2.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 -1.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 -2.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2765 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 -2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7367 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 0.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6682 0.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 0.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2302 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 -1.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 41 1 0 0 0 0 4 21 2 0 0 0 0 5 22 1 0 0 0 0 5 42 1 0 0 0 0 6 22 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 12 8 1 1 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 15 1 0 0 0 0 17 9 1 6 0 0 0 9 31 1 0 0 0 0 10 18 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 1 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$