B1UB3L -OEChem-04022103253D 39 41 0 0 0 0 0 0 0999 V2000 -4.1824 1.9755 0.2806 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 -3.5267 -0.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5577 2.0580 1.8692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 3.0295 0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 1.9006 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 -3.0653 -0.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -0.4991 0.4179 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -0.9454 -0.1529 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -0.8739 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 -1.9977 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 -1.3045 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.3680 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 0.4394 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -2.6562 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.9416 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -0.6990 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5695 0.9510 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 1.2764 -1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 -0.1313 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 1.7483 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 -0.4163 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 2.4656 -1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 1.4634 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 0.3811 1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 1.2486 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 -4.0131 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 -2.8277 -0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -0.6488 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 1.5062 -2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 0.4175 -2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 2.5942 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -1.2578 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 2.2671 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 3.3706 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 2.6716 -2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 2.0841 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 -4.4025 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7562 0.1592 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 2.8815 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 37 1 0 0 0 0 3 39 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$