L1QDR3 -OEChem-05032300442D 57 60 0 0 0 0 0 0 0999 V2000 12.4133 4.8533 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 2.2080 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0477 2.2844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5363 3.6201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -4.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -5.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 5.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 5.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 2.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -5.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -4.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -4.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -4.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -5.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -5.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 2.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3744 5.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 5.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 27 2 0 0 0 0 6 33 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 16 2 0 0 0 0 9 14 2 0 0 0 0 9 23 1 0 0 0 0 10 20 1 0 0 0 0 10 23 2 0 0 0 0 11 20 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 12 52 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 29 37 1 0 0 0 0 30 53 1 0 0 0 0 31 35 2 0 0 0 0 31 54 1 0 0 0 0 32 36 2 0 0 0 0 32 55 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 57 1 0 0 0 0 36 56 1 0 0 0 0 M END $$$$