DR0071 -OEChem-05042002563D 46 48 0 1 0 0 0 0 0999 V2000 -0.5567 -3.0584 1.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -2.7876 -0.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 1.1352 -0.0999 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2736 -0.9882 0.6128 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 4.0398 1.4874 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 -2.9819 0.2857 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.4338 2.5742 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 3.0789 0.4389 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5883 2.0547 0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 3.8001 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 2.7894 -1.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 1.7665 -1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 -0.2198 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 -0.8335 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -0.3026 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -2.3880 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 -2.2915 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -0.2049 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 -4.4301 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.4109 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -0.7485 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 0.4840 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 -0.6752 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 -0.0590 -2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 0.9757 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 2.5552 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 1.5032 1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 2.5611 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 4.4748 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 4.4186 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 3.3129 -2.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 2.2716 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 2.2563 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 1.0255 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 3.5436 2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 4.5418 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 -0.2704 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 0.6831 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -0.8821 1.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 -4.9004 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 -4.6937 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -4.8081 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -1.2507 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 0.9608 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 -1.0995 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 -0.0025 -2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$