B6K9MW -OEChem-04022103182D 42 45 0 1 0 0 0 0 0999 V2000 4.3830 1.0679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9814 0.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.1227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 -2.7998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 1.0679 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0190 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 -1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 -2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 2.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 2.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6874 3.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6846 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9991 1.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -1.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 -2.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 1.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -1.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 -3.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 -4.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -3.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -3.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1634 1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 2.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 0.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 2.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3382 4.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9537 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 21 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 23 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$