L45UDG -OEChem-05022323143D 35 36 0 0 0 0 0 0 0999 V2000 -3.7001 -1.5787 -0.5668 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 2.3880 -0.2539 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1372 -1.4666 -0.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 -1.9321 -1.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 1.5198 -1.8857 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 -2.0552 -1.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 -0.0146 -0.6318 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -2.6683 0.5839 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.1682 1.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 -0.0842 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 1.4829 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 0.2898 -0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 1.8834 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 0.7350 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 2.3021 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 2.7168 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 1.9282 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 0.6869 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -1.1894 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 -1.9782 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 -1.3741 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.7597 2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -0.3521 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 0.4607 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 3.2442 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 3.7728 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 2.5274 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 2.5671 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 0.4818 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 -3.0351 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -3.3500 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -3.0435 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 -1.2819 3.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 -2.8387 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 -1.5861 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 5 13 2 0 0 0 0 6 21 2 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$