D02IBM -OEChem-10111523372D 57 59 0 1 0 0 0 0 0999 V2000 3.4422 3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -0.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4403 1.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9920 3.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 -0.2495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -1.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 -2.4402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 1.8412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6964 0.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7055 2.9412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9644 1.9752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8736 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4212 3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0942 2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 2.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7672 2.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 -2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 -1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6295 -3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0437 -2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 -3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3025 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 0.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 3.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 1.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 1.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 2.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 0.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 1.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 -0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 3.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 0.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5476 3.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 -1.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 2.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 3.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5680 3.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 1.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 1.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9663 -2.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9173 -1.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1911 -4.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0391 1.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4821 -1.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7559 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9014 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 54 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 6 19 1 0 0 0 0 6 44 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 6 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 6 0 0 0 11 13 1 0 0 0 0 11 32 1 1 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$