B6VCO2 -OEChem-04022110322D 82 86 0 1 0 0 0 0 0999 V2000 8.0380 -1.0970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 4.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 -1.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -0.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 -4.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 7.0093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 -0.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 -4.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4865 -3.1236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 6.4955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 7.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 8.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 8.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 5.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 8.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 3.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1989 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 3.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1877 -7.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0498 -7.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 -6.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0421 -8.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3333 -5.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9043 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9001 -1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4788 -4.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6244 -2.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8924 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 -1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7545 -3.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6321 -1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 6.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 9.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 9.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 7.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 8.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 6.6972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 5.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 4.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 9.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 3.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5780 -7.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9712 -7.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8873 3.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6596 -7.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2664 -7.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8051 -6.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4119 -5.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8873 2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4324 -8.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8256 -9.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 -5.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1167 -6.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 0.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6004 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5879 0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 -0.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5901 -9.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4388 -9.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2184 -8.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8803 -4.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 -2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7747 -0.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0258 -2.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7498 -3.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1714 -1.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 38 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 63 1 0 0 0 0 4 21 1 0 0 0 0 4 64 1 0 0 0 0 7 39 2 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 50 1 0 0 0 0 9 35 1 0 0 0 0 9 73 1 0 0 0 0 10 32 1 0 0 0 0 10 39 1 0 0 0 0 10 77 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 80 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 15 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 19 2 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 25 30 2 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 1 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 65 1 0 0 0 0 31 37 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 35 2 0 0 0 0 33 70 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 36 72 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 40 43 2 0 0 0 0 40 44 1 0 0 0 0 41 43 1 0 0 0 0 41 78 1 0 0 0 0 42 44 2 0 0 0 0 42 79 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 M END $$$$