B1NQK0 -OEChem-04042107243D 27 28 0 0 0 0 0 0 0999 V2000 1.7655 2.1791 0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -2.0750 -0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 3.3455 0.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 1.6882 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 1.8082 0.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 -0.0247 -0.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 2.4171 -1.6264 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.4932 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 0.8569 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.4983 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -1.1239 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 1.2107 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 0.2223 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 -0.8677 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 -2.8485 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 -2.2141 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -3.2025 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 0.6196 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 2.2585 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 -0.2135 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 -3.6614 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7639 -2.4931 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -4.2502 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 3.2680 -2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 2.1323 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0475 -2.8612 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 2.0682 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 5 18 1 0 0 0 0 5 27 1 0 0 0 0 6 18 2 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 M END $$$$