D0TH8E -OEChem-04152110082D 58 62 0 1 0 0 0 0 0999 V2000 3.7320 -3.5852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 -0.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7320 -3.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 -1.1341 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.4217 -0.6586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2454 -1.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0690 -0.6586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9712 0.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 0.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2454 0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2454 -2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 -2.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8487 -1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2454 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 -1.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 -1.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 0.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4116 0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0315 -1.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 0.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 0.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 0.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 -2.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 -3.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -2.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0306 -0.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 2.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 4.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 4.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 2.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 19 3 1 6 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 8 27 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 1 0 0 0 12 17 1 0 0 0 0 12 33 1 6 0 0 0 13 19 1 0 0 0 0 13 34 1 1 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$