B7K1MT -OEChem-04042102303D 33 35 0 0 0 0 0 0 0999 V2000 3.3851 3.4777 -0.0039 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 2.2847 -0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -2.2617 0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5003 -1.7291 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 -1.9004 0.0139 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 0.0608 -0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 0.4609 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9374 -0.8716 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 1.2004 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 1.0864 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -1.1514 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 -1.8567 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 1.5496 -1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 1.5557 1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 -1.8379 -1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -1.8329 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 2.2541 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 2.2602 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 2.6095 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 -1.7957 -1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4493 -1.7906 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.7720 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -2.8338 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 0.1846 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 1.2797 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 1.2905 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -1.8561 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 -1.8472 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 2.5186 -2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 2.5295 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.7804 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 -1.7711 2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8103 -1.7200 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 22 1 0 0 0 0 4 33 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$