BO1JG7 -OEChem-04022106592D 58 61 0 0 0 0 0 0 0999 V2000 18.0046 2.5630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5046 3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5046 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -2.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1386 3.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0485 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0485 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5405 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5405 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8707 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0435 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1369 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -1.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -3.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2114 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0036 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8095 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1386 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5607 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4076 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1807 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 25 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 31 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 14 17 3 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$