L0UMR5 -OEChem-05032301223D 41 42 0 1 0 0 0 0 0999 V2000 5.9210 1.6035 0.8766 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 2.5549 -0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 0.8057 -0.5088 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 0.2576 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 1.1908 -0.0451 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0243 -1.2023 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 0.6447 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 0.4351 -2.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -1.5310 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 -0.0843 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -2.1846 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 1.7202 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 1.3418 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -2.8421 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 0.2623 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 -3.4956 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 2.0670 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6053 0.9429 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -3.8245 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 1.3379 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 1.1216 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 1.4664 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 0.2151 -2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -0.2048 -2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 -0.2089 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 -0.7839 1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 -0.9296 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 -1.9832 -2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 2.2986 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 0.9556 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 2.4351 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 3.1117 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 -3.0983 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 -0.3065 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -4.2610 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 2.8970 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 1.3313 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7093 -0.1468 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6634 -4.8452 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 1.6059 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9489 1.1071 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 41 1 0 0 0 0 2 5 1 0 0 0 0 2 32 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 21 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 11 16 2 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 14 33 1 0 0 0 0 15 20 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$