REMARK Name = BDB065326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.405 -2.348 0.057 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.175 -2.653 -1.281 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.065 -2.895 -1.729 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.234 -2.704 -2.181 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.536 -2.454 -1.739 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.786 -2.148 -0.392 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.708 -2.116 0.509 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 3.336 -0.700 -1.661 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.964 0.233 -0.507 0.00 0.00 +0.105 C ATOM 10 N LIG 1 3.986 0.221 0.526 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.909 -0.564 1.647 0.00 0.00 +0.151 A ATOM 12 N LIG 1 4.977 -0.347 2.383 0.00 0.00 -0.133 NA ATOM 13 N LIG 1 5.738 0.609 1.758 0.00 0.00 -0.128 NA ATOM 14 C LIG 1 2.751 -1.448 1.952 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.731 -1.412 0.895 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.701 -2.344 1.026 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.654 -3.170 1.935 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.126 0.971 0.646 0.00 0.00 +0.212 A ATOM 19 C LIG 1 1.617 -0.168 0.119 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 5.548 2.020 -0.322 0.00 0.00 +0.399 C ATOM 21 F LIG 1 4.553 2.959 -0.429 0.00 0.00 -0.187 F ATOM 22 F LIG 1 5.645 1.478 -1.576 0.00 0.00 -0.187 F BRANCH 20 23 ATOM 23 C LIG 1 6.869 2.705 0.049 0.00 0.00 +0.462 C ATOM 24 F LIG 1 7.914 1.843 0.091 0.00 0.00 -0.165 F ATOM 25 F LIG 1 6.812 3.344 1.243 0.00 0.00 -0.165 F ATOM 26 F LIG 1 7.193 3.653 -0.874 0.00 0.00 -0.165 F ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -4.195 -1.891 0.097 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.356 -0.512 0.726 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -4.584 0.681 -0.130 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.688 1.913 0.513 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -4.898 3.088 -0.221 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -5.005 3.027 -1.609 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.904 1.798 -2.259 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.577 1.972 1.979 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -4.657 3.035 2.583 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.380 0.773 2.618 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -4.304 0.793 3.631 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -4.694 0.626 -1.525 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -4.264 -0.442 2.023 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5