D0A1DG -OEChem-03141904472D 44 48 0 0 0 0 0 0 0999 V2000 2.8602 -2.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -2.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 -1.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7862 -1.1848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 2.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 -0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5133 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 0.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 2.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1561 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 0.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 0.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -0.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -0.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -2.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 2.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 2.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4091 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 2.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 35 1 0 0 0 0 5 16 2 0 0 0 0 6 26 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$