D0PN3P -OEChem-10101305022D 83 85 0 1 0 0 0 0 0999 V2000 18.5347 0.3647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5347 -1.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1183 -0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9904 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1183 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4283 -0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4283 0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 44 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 74 1 0 0 0 0 4 23 2 0 0 0 0 5 27 2 0 0 0 0 6 31 2 0 0 0 0 7 34 2 0 0 0 0 17 8 1 6 0 0 0 8 19 1 0 0 0 0 8 50 1 0 0 0 0 18 9 1 6 0 0 0 9 27 1 0 0 0 0 9 59 1 0 0 0 0 28 10 1 6 0 0 0 10 31 1 0 0 0 0 10 68 1 0 0 0 0 11 29 1 0 0 0 0 11 34 1 0 0 0 0 11 69 1 0 0 0 0 25 12 1 6 0 0 0 12 76 1 0 0 0 0 12 77 1 0 0 0 0 13 41 1 0 0 0 0 13 44 2 0 0 0 0 14 44 1 0 0 0 0 14 82 1 0 0 0 0 14 83 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 47 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 20 53 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 25 60 1 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 28 34 1 0 0 0 0 28 36 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 35 2 0 0 0 0 30 37 1 0 0 0 0 32 38 1 0 0 0 0 32 66 1 0 0 0 0 33 39 2 0 0 0 0 33 67 1 0 0 0 0 35 40 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 42 2 0 0 0 0 37 75 1 0 0 0 0 38 43 2 0 0 0 0 38 78 1 0 0 0 0 39 43 1 0 0 0 0 39 79 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 M END $$$$