B3A0EQ -OEChem-04012113043D 50 53 0 0 0 0 0 0 0999 V2000 -8.1670 -1.9489 -1.3634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 2.2253 -0.1554 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 -1.5426 0.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 1.0157 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 0.1772 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5182 2.3901 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 0.9319 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 3.0715 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 0.2991 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 2.9111 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -0.7679 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8064 -0.4545 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 -2.0678 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 2.1086 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 -1.4487 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8154 -3.0620 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9935 -2.7522 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1726 -0.2414 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 1.4534 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 0.6719 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5773 -0.8352 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1503 -0.5755 -1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0214 0.5199 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1757 -1.4451 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 0.0669 1.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 -0.7009 1.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 1.1828 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.7584 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 -0.0925 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 2.2840 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 3.0316 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 0.2775 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 1.0690 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 3.3136 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1664 4.0200 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 1.0207 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 -0.1234 -2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 3.1365 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0738 3.8692 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 0.5579 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 -2.3254 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4059 -1.2076 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -4.0775 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5251 -3.5263 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6414 0.3210 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6817 -1.1581 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 0.9820 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2383 -2.0575 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 -1.1683 2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 0.1910 2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 2 0 0 0 0 13 41 1 0 0 0 0 14 19 3 0 0 0 0 15 17 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 49 1 0 0 0 0 M END $$$$