LDQ3P1 -OEChem-05022322013D 26 26 0 0 0 0 0 0 0999 V2000 -2.2673 3.2603 -0.1615 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 -2.5553 0.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 -0.8054 -0.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 0.5695 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -1.3899 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 -0.5996 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.5577 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 -1.5818 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 0.1674 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -0.6095 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 0.9245 1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 0.1475 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 0.9145 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 0.8599 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 0.5913 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 1.2922 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 1.5470 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -1.0686 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -1.6678 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -2.5856 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 0.1779 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 -1.2033 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.5207 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 0.1399 -2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 1.5039 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 3.8292 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 M END $$$$