BCKD18 -OEChem-04012113113D 39 41 0 0 0 0 0 0 0999 V2000 -2.3211 1.9414 0.0288 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 2.3063 -0.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 0.6123 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 -2.1553 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 1.4430 0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 -0.4006 -0.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 1.4313 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 0.4141 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 0.7285 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 1.0843 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 0.4014 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 0.2249 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 0.9134 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0557 -0.7384 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2498 0.3595 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3509 0.8324 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9596 -1.1418 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6671 -2.0034 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 0.0290 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8415 -0.9078 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 -2.0695 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 -1.9453 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3655 -1.3599 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 2.0718 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 2.0844 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -0.2218 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4575 -0.1990 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 0.1034 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 0.0821 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1954 2.4272 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9123 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8494 1.2626 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 -1.6398 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0734 -2.9119 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9256 -0.9892 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5547 -3.0403 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 -3.0262 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3940 -0.0913 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 -3.0866 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 19 1 0 0 0 0 3 38 1 0 0 0 0 4 23 1 0 0 0 0 4 39 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$