D00DXI -OEChem-04152112043D 40 41 0 0 0 0 0 0 0999 V2000 4.2389 1.7006 0.0357 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7141 1.7985 -1.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 2.8766 0.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 1.3944 0.8472 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4092 0.6054 0.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 -0.3992 0.5703 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -0.2726 -0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 -2.4651 -0.3994 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 0.2995 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -0.9909 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 -1.8996 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 -0.6091 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 -2.0904 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 0.4903 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 -1.2302 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 -3.0926 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 -0.0625 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1897 1.4731 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2425 -1.1370 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 1.2425 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 0.3986 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 -0.9064 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 2.8760 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -3.0976 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 1.4862 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 -0.5952 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3443 -2.2609 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7206 -1.0925 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -2.9544 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -3.3059 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 -3.9787 0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 2.0763 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 -1.7447 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 3.1085 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1558 3.0144 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8656 3.6044 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 2.4785 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 -3.2321 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 -2.6272 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 -0.2534 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 37 1 0 0 0 0 5 21 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 17 1 0 0 0 0 8 19 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$