REMARK Name = BDB026060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.181 -0.929 -0.498 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.222 0.012 -0.047 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.039 -0.408 0.393 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.408 -1.770 0.388 0.00 0.00 +0.039 A ATOM 5 C LIG 1 0.453 -2.676 -0.088 0.00 0.00 +0.134 A ATOM 6 F LIG 1 0.731 -3.987 -0.156 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.814 -2.273 -0.520 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.247 -1.393 1.564 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.284 -1.640 0.391 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.997 -2.000 -0.873 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.811 -3.210 -0.700 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.006 -2.167 -1.979 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.690 -2.387 -3.340 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.042 -0.953 -2.142 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.450 -0.464 -0.885 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.423 -0.358 0.222 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.747 -2.183 0.851 0.00 0.00 +0.094 A ATOM 18 N LIG 1 3.715 -1.229 0.768 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 4.968 -1.523 1.184 0.00 0.00 +0.140 A ATOM 20 C LIG 1 5.219 -2.796 1.704 0.00 0.00 +0.154 A ATOM 21 N LIG 1 4.291 -3.779 1.802 0.00 0.00 -0.258 NA ATOM 22 C LIG 1 3.055 -3.438 1.368 0.00 0.00 +0.139 A BRANCH 19 23 ATOM 23 N LIG 1 5.943 -0.534 1.126 0.00 0.00 -0.310 N ATOM 24 C LIG 1 5.485 0.794 0.680 0.00 0.00 +0.134 C ATOM 25 C LIG 1 6.665 1.778 0.722 0.00 0.00 +0.178 C ATOM 26 O LIG 1 7.772 1.401 -0.116 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 7.798 0.002 -0.428 0.00 0.00 +0.178 C ATOM 28 C LIG 1 7.311 -0.897 0.722 0.00 0.00 +0.134 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.617 1.367 -0.114 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.552 1.470 -0.505 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.117 2.486 0.189 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.264 2.549 0.611 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.627 3.743 -0.102 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -1.702 4.259 0.737 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -2.305 5.415 0.393 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -1.885 6.157 -0.823 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -2.436 7.199 -1.150 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -0.857 5.595 -1.537 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -0.558 6.109 -2.359 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -0.233 4.423 -1.190 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.084 3.500 1.968 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.666 2.314 1.656 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.987 4.174 2.729 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.027 3.233 2.770 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6