REMARK Name = BDB028125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.096 0.735 0.449 0.00 0.00 +0.062 C ATOM 2 C LIG 1 -2.596 -0.710 0.413 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -1.788 -1.188 -0.631 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.277 -2.495 -0.607 0.00 0.00 -0.027 A ATOM 5 C LIG 1 -1.590 -3.355 0.467 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.415 -2.888 1.494 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.943 -4.725 0.590 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -0.149 -5.149 -0.657 0.00 0.00 +0.113 C ATOM 9 N LIG 1 0.542 -3.994 -1.218 0.00 0.00 -0.293 N ATOM 10 C LIG 1 1.813 -3.704 -0.709 0.00 0.00 +0.253 C ATOM 11 O LIG 1 2.545 -4.519 -0.159 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.268 -2.317 -0.769 0.00 0.00 +0.113 A ATOM 13 C LIG 1 2.936 -1.834 -1.885 0.00 0.00 +0.174 A ATOM 14 C LIG 1 3.183 -0.466 -1.996 0.00 0.00 +0.165 A ATOM 15 C LIG 1 2.752 0.433 -1.013 0.00 0.00 +0.029 A ATOM 16 C LIG 1 2.132 -0.093 0.127 0.00 0.00 +0.165 A ATOM 17 F LIG 1 1.677 0.726 1.082 0.00 0.00 -0.202 F ATOM 18 C LIG 1 2.869 1.920 -1.221 0.00 0.00 +0.045 C ATOM 19 C LIG 1 4.017 2.615 -0.482 0.00 0.00 +0.032 C ATOM 20 C LIG 1 3.907 2.635 1.017 0.00 0.00 -0.027 C ATOM 21 C LIG 1 3.105 3.415 1.761 0.00 0.00 +0.009 C ATOM 22 C LIG 1 2.082 4.410 1.286 0.00 0.00 +0.259 C ATOM 23 O LIG 1 0.903 4.306 2.082 0.00 0.00 -0.458 OA ATOM 24 C LIG 1 -0.005 3.383 1.620 0.00 0.00 +0.318 A ATOM 25 N LIG 1 -0.679 2.733 2.576 0.00 0.00 -0.203 NA ATOM 26 C LIG 1 -1.637 1.887 2.154 0.00 0.00 +0.122 A ATOM 27 N LIG 1 -0.246 3.291 0.303 0.00 0.00 -0.203 NA ATOM 28 C LIG 1 -1.230 2.439 -0.060 0.00 0.00 +0.122 A ATOM 29 F LIG 1 3.781 -0.001 -3.102 0.00 0.00 -0.202 F ATOM 30 F LIG 1 3.273 -2.652 -2.891 0.00 0.00 -0.202 F ATOM 31 C LIG 1 1.909 -1.457 0.261 0.00 0.00 +0.174 A ATOM 32 F LIG 1 1.276 -1.917 1.349 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -0.384 -2.983 -1.723 0.00 0.00 +0.143 C ATOM 34 C LIG 1 -2.911 -1.581 1.467 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -1.985 1.696 0.827 0.00 0.00 -0.003 A ENDROOT BRANCH 1 36 ATOM 36 C LIG 1 -3.869 1.077 -0.837 0.00 0.00 +0.133 C BRANCH 36 38 ATOM 37 O LIG 1 -4.355 3.362 -1.473 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -4.560 2.406 -0.745 0.00 0.00 +0.306 C BRANCH 38 39 ATOM 39 O LIG 1 -5.486 2.460 0.228 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -5.856 3.368 0.162 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 3