REMARK Name = BDB009490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.493 -0.466 -0.077 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.429 -1.419 -1.089 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.598 -1.447 -1.949 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.443 -2.362 -1.230 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.541 -2.336 -0.367 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.642 -1.356 0.633 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.603 -0.424 0.777 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.269 -1.516 2.071 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.995 -0.716 1.180 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.693 -0.439 0.779 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.611 -1.211 1.398 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.317 -1.180 0.574 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.871 0.188 0.270 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.548 0.566 0.072 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.182 1.740 0.047 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.885 1.241 0.346 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.289 0.736 -0.011 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 7.117 -0.035 0.510 0.00 0.00 +0.057 A ATOM 19 C LIG 1 7.257 -0.023 -0.878 0.00 0.00 +0.040 A ATOM 20 C LIG 1 8.361 0.619 -1.430 0.00 0.00 +0.103 A ATOM 21 CL LIG 1 8.562 0.668 -3.138 0.00 0.00 -0.078 Cl ATOM 22 C LIG 1 9.285 1.213 -0.572 0.00 0.00 +0.231 A ATOM 23 N LIG 1 9.182 1.196 0.771 0.00 0.00 -0.219 NA ATOM 24 C LIG 1 8.106 0.555 1.288 0.00 0.00 +0.127 A BRANCH 22 25 ATOM 25 O LIG 1 10.387 1.867 -1.048 0.00 0.00 -0.491 OA ATOM 26 H LIG 1 10.367 1.789 -2.016 0.00 0.00 +0.294 HD ENDBRANCH 22 25 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -3.840 -1.312 1.555 0.00 0.00 +0.092 C BRANCH 27 28 ATOM 28 C LIG 1 -5.171 -1.232 0.813 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -5.599 0.061 0.191 0.00 0.00 -0.016 A ATOM 30 C LIG 1 -4.763 1.304 0.325 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -5.511 2.582 -0.068 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.303 2.381 -1.353 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -7.321 1.250 -1.197 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -6.763 0.049 -0.483 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -7.569 -1.195 -0.557 0.00 0.00 +0.268 A ATOM 36 O LIG 1 -8.643 -1.238 -1.149 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.044 -2.287 0.079 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.581 -3.147 0.041 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.864 -2.331 0.751 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5