DR2068 -OEChem-05042003512D 41 43 0 1 0 0 0 0 0999 V2000 10.1980 2.7012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.5231 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 3.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 2.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.7586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6131 2.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 18 4 1 6 0 0 0 4 34 1 0 0 0 0 19 5 1 6 0 0 0 5 35 1 0 0 0 0 6 22 1 0 0 0 0 8 40 1 0 0 0 0 10 41 1 0 0 0 0 20 13 1 1 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 1 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 27 37 1 0 0 0 0 M END $$$$