REMARK Name = BDB028067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.605 1.274 -0.565 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.450 1.109 0.835 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.184 0.936 1.428 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.079 0.937 0.580 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.371 0.782 0.901 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.024 0.884 -0.399 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.090 1.074 -1.423 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.226 1.203 -2.626 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.236 1.105 -0.791 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.471 1.275 -1.390 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.437 0.805 -0.543 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.263 0.603 0.580 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.679 0.517 0.522 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.239 0.684 -0.758 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.448 0.877 -1.892 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.059 0.931 -1.784 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.566 0.296 1.878 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -4.887 -0.373 3.109 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -4.668 0.920 3.731 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.611 1.533 2.817 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.968 -0.283 1.619 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -6.943 -1.666 1.059 0.00 0.00 +0.138 A ATOM 23 N LIG 1 -7.845 -2.167 0.161 0.00 0.00 -0.260 N ATOM 24 C LIG 1 -7.468 -3.448 -0.092 0.00 0.00 +0.229 A ATOM 25 N LIG 1 -6.414 -3.739 0.627 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.087 -2.622 1.358 0.00 0.00 -0.134 NA BRANCH 23 27 ATOM 27 C LIG 1 -8.967 -1.488 -0.429 0.00 0.00 +0.450 C ATOM 28 F LIG 1 -8.544 -0.580 -1.346 0.00 0.00 -0.185 F ATOM 29 F LIG 1 -9.675 -0.801 0.505 0.00 0.00 -0.185 F ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 2.022 0.762 2.913 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.422 -0.418 3.231 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.239 1.733 3.459 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.192 0.790 3.604 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 4.986 1.460 -1.161 0.00 0.00 +0.119 C BRANCH 34 42 ATOM 35 C LIG 1 9.465 0.165 -2.334 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.000 -0.224 -2.140 0.00 0.00 +0.069 C ATOM 37 C LIG 1 7.861 -1.663 -1.665 0.00 0.00 +0.254 C ATOM 38 F LIG 1 8.742 -1.909 -0.657 0.00 0.00 -0.205 F ATOM 39 F LIG 1 8.218 -2.496 -2.681 0.00 0.00 -0.205 F ATOM 40 C LIG 1 6.467 -2.029 -1.187 0.00 0.00 +0.091 C ATOM 41 C LIG 1 5.470 -0.916 -1.487 0.00 0.00 +0.090 C ATOM 42 N LIG 1 5.901 0.345 -0.869 0.00 0.00 -0.298 NA ATOM 43 C LIG 1 7.301 0.706 -1.149 0.00 0.00 +0.093 C ENDBRANCH 34 42 ENDBRANCH 1 34 TORSDOF 8