D00DDJ -OEChem-10101305022D 42 45 0 0 0 0 0 0 0999 V2000 2.8070 1.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -1.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 -2.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -0.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -1.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -3.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -3.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8816 1.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 3.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 3.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 2.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 42 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 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 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 M END $$$$