B0JD4M -OEChem-04022114163D 30 31 0 0 0 0 0 0 0999 V2000 -5.7313 0.0022 -0.0122 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1965 -0.0334 -1.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2115 -0.9907 0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 2.0688 0.3584 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9211 -0.3314 -0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 1.5597 0.6275 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 0.8592 0.1662 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9857 -0.0354 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -0.5104 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2824 0.4095 -1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.0958 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.5406 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 0.3794 -1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 -0.1827 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 0.9264 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -1.4306 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -0.1261 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 -1.5031 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6948 -0.2734 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -0.1517 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8217 -0.8556 1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8001 0.7895 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -0.9122 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 0.7310 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 1.8988 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 -2.3228 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3886 2.2764 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3975 1.6208 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 -2.4324 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9235 2.2509 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 4 7 1 0 0 0 0 4 30 1 0 0 0 0 5 19 2 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 20 3 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$