DR1515 -OEChem-05042004182D 49 52 0 1 0 0 0 0 0999 V2000 8.3323 2.5694 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5744 1.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9255 3.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.1048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -0.4829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3268 2.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7335 1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 3.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 2.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 2.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 1.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 1.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -3.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -2.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -3.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -4.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 1.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 3.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9802 0.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2735 3.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9324 2.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 37 1 0 0 0 0 17 22 2 0 0 0 0 17 38 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$