REMARK Name = BDB026165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.355 -1.047 -0.412 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.622 -0.084 -0.055 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.984 -0.411 -0.068 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.422 -1.691 -0.452 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.440 -2.624 -0.815 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.794 -3.859 -1.203 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.079 -2.317 -0.795 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.876 -0.996 -2.457 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.050 -0.732 -1.192 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.604 -1.521 -0.059 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.746 -0.836 0.553 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.584 -1.860 0.967 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.223 -3.344 0.820 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.319 -0.957 0.997 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.720 -0.693 -0.334 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.561 -1.054 -1.490 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.859 -2.027 -0.465 0.00 0.00 -0.012 A ATOM 18 C LIG 1 4.336 -3.210 0.123 0.00 0.00 +0.047 A ATOM 19 C LIG 1 5.697 -3.520 0.115 0.00 0.00 +0.136 A ATOM 20 F LIG 1 6.082 -4.678 0.671 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.618 -2.665 -0.484 0.00 0.00 +0.072 A ATOM 22 C LIG 1 6.167 -1.477 -1.069 0.00 0.00 +0.016 A ATOM 23 C LIG 1 4.801 -1.166 -1.059 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 8.058 -3.007 -0.471 0.00 0.00 +0.244 C ATOM 25 O LIG 1 8.588 -3.596 0.460 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 8.786 -2.636 -1.571 0.00 0.00 -0.325 N ATOM 27 H LIG 1 8.346 -2.395 -2.448 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 9.735 -2.986 -1.605 0.00 0.00 +0.145 HD ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.128 1.193 0.285 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.887 1.236 0.226 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.837 2.326 0.592 0.00 0.00 +0.250 C ATOM 32 O LIG 1 2.051 2.474 0.612 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.054 3.483 0.882 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -0.771 3.644 2.135 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -1.555 4.726 2.300 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -1.701 5.749 1.229 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -2.446 6.704 1.421 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -0.962 5.523 0.071 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -1.026 6.491 -1.014 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -0.154 4.408 -0.084 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -0.592 2.618 3.209 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.210 2.971 4.367 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.126 1.423 2.847 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.709 2.403 3.516 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6