B2GAP1 -OEChem-04012120142D 67 69 0 0 0 0 0 0 0999 V2000 8.0622 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8765 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4965 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 20 2 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 4 54 1 0 0 0 0 5 19 2 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 23 2 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 M END $$$$