L13MKE -OEChem-05022321573D 53 55 0 1 0 0 0 0 0999 V2000 1.4289 -0.9323 1.3043 S 0 3 2 0 0 0 0 0 0 0 0 0 -1.5997 -1.5111 1.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 -4.3019 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -2.6834 -1.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 1.7789 0.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 -0.2158 -0.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -0.0866 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 1.6431 0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 1.0891 0.1532 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -0.9002 -2.0346 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 3.4978 -0.0715 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 4.4955 -0.2171 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -2.4967 0.5401 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5086 -3.2172 -0.5424 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4918 -2.1507 -0.9832 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8122 -1.4696 0.3386 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5147 -1.7774 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -0.8831 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 1.0293 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5653 0.3352 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 0.2903 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -2.4037 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 2.0898 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 0.3685 -1.3391 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8077 3.3623 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 0.5806 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 2.3695 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 2.0998 1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -3.2041 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 -3.6228 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -1.4578 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5909 -1.9976 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -1.0193 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 -2.5067 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 -1.8432 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -0.7672 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 -4.7610 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -3.2352 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -0.3535 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 0.2298 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 1.2272 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 -2.1771 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -3.2545 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 -2.6506 2.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.1840 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -1.0918 -2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -0.8200 -2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 2.5147 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6363 4.3969 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 5.4094 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 2.1613 0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5592 1.3539 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 3.0749 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 15 1 0 0 0 0 4 38 1 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 6 26 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 19 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 25 1 0 0 0 0 11 27 2 0 0 0 0 12 25 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 23 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 27 48 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 1 1 M END $$$$