REMARK Name = BDB038341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.525 2.659 0.679 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.266 2.207 0.785 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.032 0.881 0.749 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.081 -0.029 0.682 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -2.394 0.434 0.592 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.613 1.809 0.574 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.306 0.432 0.760 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.422 1.260 0.859 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.539 2.460 1.018 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.598 0.386 0.738 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.936 0.734 0.776 0.00 0.00 +0.018 A ATOM 12 C LIG 1 5.885 -0.286 0.628 0.00 0.00 -0.033 A ATOM 13 C LIG 1 5.450 -1.620 0.434 0.00 0.00 +0.017 A ATOM 14 C LIG 1 4.082 -1.960 0.406 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.166 -0.924 0.558 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.670 -0.958 0.557 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.632 -3.379 0.184 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.615 -4.298 0.386 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.612 -3.739 1.012 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.177 -3.585 -1.081 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 7.357 0.043 0.629 0.00 0.00 +0.113 C BRANCH 21 22 ATOM 22 N LIG 1 7.823 0.377 -0.710 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 7.600 -0.387 -1.345 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 7.300 1.183 -1.051 0.00 0.00 +0.119 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 25 ATOM 25 C LIG 1 -3.515 -0.506 0.512 0.00 0.00 +0.079 A ATOM 26 N LIG 1 -4.565 -0.522 1.410 0.00 0.00 -0.266 N ATOM 27 C LIG 1 -4.730 0.289 2.596 0.00 0.00 +0.173 C ATOM 28 N LIG 1 -5.511 -1.438 1.122 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -5.033 -2.057 0.044 0.00 0.00 +0.146 A ATOM 30 C LIG 1 -3.794 -1.540 -0.374 0.00 0.00 +0.064 A BRANCH 30 31 ATOM 31 C LIG 1 -2.902 -1.999 -1.575 0.00 0.00 +0.167 A ATOM 32 N LIG 1 -3.144 -2.993 -2.489 0.00 0.00 -0.316 N ATOM 33 C LIG 1 -4.294 -3.845 -2.607 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -2.057 -3.032 -3.311 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -1.192 -2.122 -2.938 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -1.728 -1.466 -1.859 0.00 0.00 -0.129 NA ENDBRANCH 30 31 ENDBRANCH 5 25 BRANCH 1 37 ATOM 37 N LIG 1 -1.669 4.050 0.708 0.00 0.00 -0.329 N ATOM 38 H LIG 1 -0.701 4.362 0.840 0.00 0.00 +0.147 HD BRANCH 37 40 ATOM 39 C LIG 1 -2.187 6.112 -0.469 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -2.205 4.593 -0.538 0.00 0.00 +0.099 C ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 8