REMARK Name = BDB014884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.177 0.897 -0.158 0.00 0.00 -0.295 N ATOM 2 H LIG 1 -0.380 1.888 -0.272 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.697 3.095 0.162 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -5.194 3.055 0.062 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.596 1.814 -0.116 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.136 1.827 -0.304 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.565 0.468 -0.100 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.216 0.038 -0.034 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.156 -1.281 0.157 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.433 -1.702 0.231 0.00 0.00 -0.259 N ATOM 11 C LIG 1 -3.324 -0.677 0.054 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.809 -0.689 0.058 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.326 0.617 -0.583 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -4.540 4.095 0.147 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -2.683 -3.134 0.483 0.00 0.00 +0.159 C ATOM 16 C LIG 1 -3.761 -3.437 1.513 0.00 0.00 +0.189 C ATOM 17 O LIG 1 -4.681 -3.870 0.476 0.00 0.00 -0.375 OA ATOM 18 C LIG 1 -3.619 -3.802 -0.513 0.00 0.00 +0.189 C ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 19 ATOM 19 C LIG 1 1.222 0.688 -0.143 0.00 0.00 +0.071 A ATOM 20 C LIG 1 2.066 1.806 -0.277 0.00 0.00 +0.145 A ATOM 21 F LIG 1 1.514 3.023 -0.413 0.00 0.00 -0.204 F ATOM 22 C LIG 1 3.456 1.702 -0.274 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.053 0.447 -0.137 0.00 0.00 +0.024 A ATOM 24 C LIG 1 3.224 -0.673 -0.002 0.00 0.00 +0.133 A ATOM 25 F LIG 1 3.762 -1.893 0.145 0.00 0.00 -0.205 F ATOM 26 C LIG 1 1.832 -0.560 -0.006 0.00 0.00 +0.065 A BRANCH 23 27 ATOM 27 C LIG 1 5.497 0.316 -0.130 0.00 0.00 +0.034 A ATOM 28 C LIG 1 6.380 -0.545 -0.855 0.00 0.00 +0.173 A ATOM 29 N LIG 1 7.664 -0.314 -0.501 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 7.592 0.658 0.421 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.805 1.145 1.032 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.322 1.078 0.672 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 6.014 -1.572 -1.897 0.00 0.00 +0.437 C ATOM 34 F LIG 1 5.838 -2.811 -1.365 0.00 0.00 -0.164 F ATOM 35 F LIG 1 6.962 -1.698 -2.868 0.00 0.00 -0.164 F ATOM 36 F LIG 1 4.859 -1.258 -2.548 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 23 27 ENDBRANCH 1 19 TORSDOF 5