REMARK Name = BDB034091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.945 -0.060 0.177 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.078 0.366 1.177 0.00 0.00 +0.132 A ATOM 3 F LIG 1 -1.569 0.762 2.361 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.305 0.411 0.982 0.00 0.00 +0.062 A ATOM 5 C LIG 1 0.893 0.024 -0.232 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.011 -0.395 -1.238 0.00 0.00 +0.062 A ATOM 7 C LIG 1 -1.371 -0.436 -1.033 0.00 0.00 +0.132 A ATOM 8 F LIG 1 -2.155 -0.842 -2.043 0.00 0.00 -0.205 F ENDROOT BRANCH 1 15 ATOM 9 O LIG 1 -7.375 -0.701 -0.733 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -6.196 -0.501 -0.452 0.00 0.00 +0.219 C ATOM 11 N LIG 1 -5.319 -1.543 -0.289 0.00 0.00 -0.256 N ATOM 12 H LIG 1 -5.704 -2.468 -0.416 0.00 0.00 +0.157 HD ATOM 13 C LIG 1 -4.024 -1.494 0.172 0.00 0.00 +0.227 C ATOM 14 O LIG 1 -3.428 -2.536 0.439 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -3.438 -0.104 0.407 0.00 0.00 +0.111 C ATOM 16 C LIG 1 -4.159 0.942 -0.451 0.00 0.00 +0.027 C ATOM 17 C LIG 1 -5.655 0.882 -0.187 0.00 0.00 +0.097 C ENDBRANCH 1 15 BRANCH 5 18 ATOM 18 N LIG 1 2.253 0.074 -0.428 0.00 0.00 -0.329 N ATOM 19 C LIG 1 3.225 0.268 0.651 0.00 0.00 +0.111 C ATOM 20 C LIG 1 4.558 -0.184 0.045 0.00 0.00 +0.033 C ATOM 21 C LIG 1 4.371 0.095 -1.444 0.00 0.00 +0.026 C ATOM 22 C LIG 1 2.915 -0.295 -1.679 0.00 0.00 +0.105 C BRANCH 20 23 ATOM 23 C LIG 1 5.752 0.527 0.661 0.00 0.00 +0.161 C BRANCH 23 24 ATOM 24 O LIG 1 6.965 0.027 0.116 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 7.021 0.320 -0.809 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 5 18 TORSDOF 4