LE89KS -OEChem-05022322163D 24 25 0 0 0 0 0 0 0999 V2000 -4.0014 2.3115 -0.0165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 -2.5112 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 0.1068 1.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 0.0870 -1.2003 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 0.3106 -0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 0.3276 2.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 0.2888 -2.3472 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -0.1139 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 0.0359 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 -1.3792 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.0275 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -1.5030 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 0.9036 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -0.3616 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.2441 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5445 0.2256 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 2.0158 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2611 -2.4854 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -0.4734 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -2.2912 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.2826 3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2524 0.4321 2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 0.3927 -2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 0.2286 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 16 2 0 0 0 0 5 15 2 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 M END $$$$