B3UTJ7 -OEChem-04022103193D 30 31 0 0 0 0 0 0 0999 V2000 -5.0471 2.1807 0.0263 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4704 -1.6951 0.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -2.8624 0.1590 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0470 -1.7287 0.0857 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8641 -0.3693 -0.0239 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 -0.1208 0.1268 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 1.1903 0.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 1.8961 -0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 -0.4785 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 0.3822 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 1.3355 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 -0.0656 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 1.7802 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 2.2186 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 1.9163 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7113 -1.0289 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 1.2604 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 -2.4313 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5161 -3.3796 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -0.7481 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 2.4657 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 3.2932 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 3.0189 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 -0.7967 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3514 -0.8615 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.5243 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 2.9078 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -2.6958 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1231 -4.3847 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1623 -3.1734 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M CHG 2 3 -1 4 1 M END $$$$