B3VWM4 -OEChem-04012114492D 71 75 0 0 0 0 0 0 0999 V2000 8.9962 7.1555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 5.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 -4.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6418 -3.4378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.3445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6033 -6.8464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -3.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8327 -4.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8109 -5.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0896 -5.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3054 -4.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2975 -6.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1385 -5.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 -7.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3954 -5.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0631 -5.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -2.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -2.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -2.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -3.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 1.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 2.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3702 -4.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9220 -4.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2406 -3.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -6.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0096 -4.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 4.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 3.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 3.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 4.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -7.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8057 -5.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 5.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 5.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 7.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 6.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 10 2 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 36 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 17 2 0 0 0 0 11 20 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 24 2 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 28 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 33 2 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 31 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 32 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 M END $$$$