REMARK Name = BDB063062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.079 -3.081 -1.655 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.356 -4.040 -0.672 0.00 0.00 +0.056 A ATOM 3 CL LIG 1 0.339 -5.620 -0.677 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -1.189 -3.710 0.400 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.752 -2.438 0.481 0.00 0.00 +0.137 A ATOM 6 F LIG 1 -2.546 -2.171 1.530 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.506 -1.475 -0.498 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -0.673 -1.810 -1.576 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 1.764 -2.577 -3.255 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.923 -2.668 -4.253 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 0.742 -3.406 -2.843 0.00 0.00 +0.250 C ATOM 12 O LIG 1 0.401 -4.352 -3.548 0.00 0.00 -0.270 OA BRANCH 9 15 ATOM 13 C LIG 1 2.845 -2.684 -0.396 0.00 0.00 +0.046 C ATOM 14 C LIG 1 2.792 -1.466 -1.276 0.00 0.00 -0.026 A ATOM 15 C LIG 1 2.358 -1.477 -2.612 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.561 -0.342 -3.406 0.00 0.00 +0.027 A ATOM 17 C LIG 1 3.080 0.831 -2.856 0.00 0.00 +0.047 A ATOM 18 C LIG 1 3.433 0.883 -1.511 0.00 0.00 +0.121 A ATOM 19 C LIG 1 3.297 -0.265 -0.731 0.00 0.00 +0.050 A BRANCH 18 20 ATOM 20 O LIG 1 3.911 2.093 -1.091 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 4.270 2.211 0.290 0.00 0.00 +0.256 C BRANCH 21 22 ATOM 22 C LIG 1 4.708 3.653 0.529 0.00 0.00 +0.196 C BRANCH 22 23 ATOM 23 O LIG 1 3.608 4.541 0.338 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 3.228 4.317 -0.532 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 9 15 ENDBRANCH 1 11 BRANCH 7 25 ATOM 25 C LIG 1 -2.093 -0.106 -0.462 0.00 0.00 +0.247 C ATOM 26 N LIG 1 -2.833 0.243 0.643 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -3.043 -0.449 1.354 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -1.904 0.661 -1.399 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.487 1.527 0.721 0.00 0.00 +0.140 C BRANCH 29 30 ATOM 30 C LIG 1 -4.075 1.744 2.089 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -3.272 2.225 3.135 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -3.814 2.395 4.406 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -3.035 2.856 5.395 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -5.145 2.086 4.651 0.00 0.00 +0.158 A ATOM 35 F LIG 1 -5.662 2.248 5.877 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -5.953 1.599 3.629 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -5.418 1.424 2.350 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 25 TORSDOF 9