B1HQR8 -OEChem-04022102272D 58 59 0 1 0 0 0 0 0999 V2000 5.7122 10.3519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 6.5051 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 5.1391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0782 4.7730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 5.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 7.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 9.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 11.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7177 10.4564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2177 11.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 8.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 5.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 6.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7386 9.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 9.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 11.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 11.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 9.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 11.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 11.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 8.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8472 5.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 18 2 0 0 0 0 6 32 1 0 0 0 0 6 57 1 0 0 0 0 7 32 2 0 0 0 0 8 34 1 0 0 0 0 8 58 1 0 0 0 0 9 34 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 16 11 1 1 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 17 43 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$