D0R9VR -OEChem-10121500562D 42 45 0 1 0 0 0 0 0999 V2000 4.8885 0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -1.9881 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2493 0.0390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7341 0.9612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4664 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 -1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 1.8973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2493 -2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 -2.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 1.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -0.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6288 -0.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 2.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -2.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -2.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3539 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -3.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -3.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 -2.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2728 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 14 2 1 1 0 0 0 2 39 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 6 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$