B8CVR3 -OEChem-04022105512D 60 64 0 0 0 0 0 0 0999 V2000 9.0991 -2.7753 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -0.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -0.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 -1.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3475 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2077 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0795 -1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1254 2.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0563 -3.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 3.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 -2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 2.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 -1.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1287 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 2.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 -3.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0866 -0.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9996 0.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5873 3.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9978 -1.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 -3.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4801 -1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3994 1.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9871 3.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4614 -3.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3932 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 -3.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 37 1 0 0 0 0 2 18 1 0 0 0 0 2 46 1 0 0 0 0 3 15 2 0 0 0 0 4 23 2 0 0 0 0 5 38 1 0 0 0 0 5 60 1 0 0 0 0 6 38 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 23 1 0 0 0 0 9 31 1 0 0 0 0 9 48 1 0 0 0 0 10 22 1 0 0 0 0 10 37 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 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 17 2 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 30 2 0 0 0 0 25 43 1 0 0 0 0 26 32 1 0 0 0 0 26 44 1 0 0 0 0 27 33 2 0 0 0 0 27 45 1 0 0 0 0 28 47 1 0 0 0 0 29 34 2 0 0 0 0 29 49 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 36 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 35 2 0 0 0 0 32 53 1 0 0 0 0 33 35 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 36 38 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 M END $$$$