LDUS12 -OEChem-05022322373D 35 37 0 0 0 0 0 0 0999 V2000 5.4436 0.2449 0.4640 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 1.6234 0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -0.2100 1.8035 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 2.8434 0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 1.3280 -0.0265 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -0.9990 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -0.1561 0.1341 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -0.5949 -0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -0.8076 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 -0.1983 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0511 0.0137 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -1.5642 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5749 0.5725 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.3658 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 0.7707 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 0.5504 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -0.7461 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 1.6877 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1323 0.7688 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -1.8268 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0029 -0.3197 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 -1.6151 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9158 -1.8420 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 -0.5513 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.4770 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 1.3265 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 -2.1307 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 1.6773 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 2.0860 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5389 1.7714 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 -2.8436 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0724 -0.1586 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1828 -2.4619 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -1.0828 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4687 0.1653 -0.7556 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 7 1 0 0 0 0 1 9 1 0 0 0 0 4 18 2 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 11 2 0 0 0 0 6 17 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$