B9URB3 -OEChem-04022103333D 31 32 0 0 0 0 0 0 0999 V2000 5.2378 1.2035 -0.1590 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 -0.1805 0.0206 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.0448 -1.3057 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 -1.2830 0.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 0.2211 -0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3519 0.7676 -0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.6657 -0.0789 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 -1.3069 0.1772 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -1.1372 0.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 0.4004 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 1.0121 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 1.1281 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4611 -0.9007 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6076 0.5548 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 -1.4740 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 -0.7464 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 2.5164 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 0.1178 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -0.0647 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -0.1883 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 2.1312 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 -1.4846 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4388 1.1237 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8726 -2.4878 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 2.9667 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 2.7612 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 2.9665 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 1.7695 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 1.6701 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 -2.2485 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -2.2079 -0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 16 1 0 0 0 0 3 31 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 19 1 0 0 0 0 6 28 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$