B58KPU -OEChem-04012119322D 55 59 0 0 0 0 0 0 0999 V2000 2.9180 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 2.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 2.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 2.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 3.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2448 3.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 3.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3696 1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3228 1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9243 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 0.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2448 0.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 27 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 39 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 25 1 0 0 0 0 18 42 1 0 0 0 0 19 26 2 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$