D0ES4S -OEChem-10101305022D 62 67 0 1 0 0 0 0 0999 V2000 10.0079 -2.2868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 5.2458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 -1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9522 -1.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9398 -0.6252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -2.2673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3730 -3.2112 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8212 1.2929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 1.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3265 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 -3.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6131 -3.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2391 -3.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 -4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2391 -4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3730 -5.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 1.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 -3.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6131 -5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 2.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8718 3.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 4.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 3.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 1.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9109 0.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 -0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 1.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3681 -0.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -0.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 0.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 -1.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 -2.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0492 -1.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 -0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8992 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 2.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8496 -3.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4511 -3.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4511 -5.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8496 -4.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 -5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 -3.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6202 -5.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 -5.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 0.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 3.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 2.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 4.3001 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 32 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 59 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 23 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 24 2 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 28 2 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 25 27 2 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 33 62 1 0 0 0 0 M END $$$$