REMARK Name = BDB027415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.968 1.191 0.606 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.734 0.876 -0.529 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.589 1.854 -1.073 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.670 3.118 -0.491 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.924 3.442 0.588 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.109 2.488 1.104 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.549 4.189 -1.005 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.792 3.913 -1.604 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.598 4.946 -2.081 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.774 4.646 -2.647 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.192 6.269 -1.972 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.969 7.256 -2.437 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.977 6.578 -1.378 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.166 5.545 -0.896 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.129 -0.917 1.096 0.00 0.00 +0.075 C ATOM 16 C LIG 1 1.275 0.327 0.668 0.00 0.00 +0.133 C ATOM 17 N LIG 1 -0.121 0.221 1.171 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -0.192 0.127 2.644 0.00 0.00 +0.105 C ATOM 19 C LIG 1 0.591 -1.090 3.135 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.044 -1.048 2.642 0.00 0.00 +0.031 C BRANCH 15 23 ATOM 21 C LIG 1 5.335 -0.854 -1.018 0.00 0.00 +0.126 A ATOM 22 C LIG 1 4.030 -1.133 -0.609 0.00 0.00 +0.071 A ATOM 23 C LIG 1 3.574 -0.669 0.626 0.00 0.00 +0.069 A ATOM 24 N LIG 1 4.372 0.079 1.427 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 5.631 0.327 1.013 0.00 0.00 +0.217 A ATOM 26 F LIG 1 6.415 1.054 1.825 0.00 0.00 -0.184 F ATOM 27 C LIG 1 6.159 -0.112 -0.184 0.00 0.00 +0.104 A BRANCH 21 29 ATOM 28 C LIG 1 6.986 -1.085 -2.716 0.00 0.00 +0.277 C ATOM 29 O LIG 1 5.670 -1.358 -2.248 0.00 0.00 -0.495 OA ENDBRANCH 21 29 ENDBRANCH 15 23 BRANCH 15 30 ATOM 30 N LIG 1 1.565 -2.182 0.564 0.00 0.00 -0.319 NA ATOM 31 H LIG 1 1.298 -2.098 -0.413 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 2.229 -2.944 0.670 0.00 0.00 +0.119 HD ENDBRANCH 15 30 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 -1.657 -0.480 -1.192 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 -2.133 -1.590 -0.384 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -1.751 -2.893 -0.569 0.00 0.00 +0.166 A ATOM 36 C LIG 1 -2.470 -3.611 0.373 0.00 0.00 +0.147 A ATOM 37 C LIG 1 -2.249 -4.999 0.410 0.00 0.00 +0.147 A ATOM 38 N LIG 1 -1.354 -5.536 -0.450 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 -0.737 -4.712 -1.324 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -3.290 -2.778 1.107 0.00 0.00 -0.231 NA ATOM 41 N LIG 1 -0.872 -3.376 -1.466 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 -3.068 -1.575 0.616 0.00 0.00 +0.202 A BRANCH 37 43 ATOM 43 N LIG 1 -2.889 -5.851 1.301 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -2.358 -6.698 1.453 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -3.257 -5.368 2.114 0.00 0.00 +0.144 HD ENDBRANCH 37 43 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8