B9GB4J -OEChem-04022107093D 55 58 0 0 0 0 0 0 0999 V2000 -7.3380 1.3469 -2.1295 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 -0.5593 0.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -1.5943 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5076 -1.2797 1.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 0.0062 0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 -2.2208 -0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6816 2.1624 2.5401 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6454 3.0829 -1.4438 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 0.7114 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -2.6371 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 1.0038 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -1.6094 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 0.3237 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 1.7608 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -3.1930 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.0714 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 -2.0067 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 -2.7592 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 -1.4910 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -2.2434 -1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0887 2.0624 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 2.4407 1.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1104 0.6131 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0977 -0.3061 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0520 -0.4090 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -1.3481 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7588 0.4352 -2.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3327 0.4012 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 1.1784 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5677 0.7432 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 2.3376 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 1.4834 -1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9083 2.6352 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7471 -0.4852 -0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 -3.5403 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 -4.0605 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 0.3730 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.9183 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 -3.2487 -1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 -1.0418 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 -2.3413 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0258 2.6027 1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 3.2675 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 -2.1670 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1394 -0.8811 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 1.6798 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 2.9311 3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9099 -1.0686 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3110 0.5602 -3.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 1.0782 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -0.1130 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 -0.1657 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 2.7200 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 1.1682 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5271 3.2477 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 27 1 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 16 2 0 0 0 0 4 26 2 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 6 15 1 0 0 0 0 6 26 1 0 0 0 0 6 44 1 0 0 0 0 7 14 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 31 1 0 0 0 0 8 33 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 34 1 0 0 0 0 14 22 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$