B94EHW -OEChem-04022100412D 49 51 0 1 0 0 0 0 0999 V2000 3.7320 0.6909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.6138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.1909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2063 3.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1848 3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1857 3.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5925 3.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 3.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 27 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 28 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 17 10 1 6 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 23 26 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$