REMARK Name = BDB027488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.395 0.047 -0.950 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.852 1.185 -0.266 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -2.097 1.070 0.371 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -2.891 -0.026 0.375 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.453 -1.110 -0.294 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.232 -1.094 -0.972 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.349 -2.285 -0.268 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.857 -3.603 -0.306 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.729 -4.691 -0.279 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.226 -5.932 -0.319 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.101 -4.497 -0.208 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.933 -5.547 -0.183 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.621 -3.212 -0.158 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.749 -2.117 -0.185 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 -0.192 2.412 -0.150 0.00 0.00 -0.322 N ATOM 16 C LIG 1 0.981 2.485 0.782 0.00 0.00 +0.115 C ATOM 17 C LIG 1 1.230 3.993 1.129 0.00 0.00 +0.073 C ATOM 18 C LIG 1 1.444 4.787 -0.171 0.00 0.00 +0.022 C ATOM 19 C LIG 1 0.273 4.625 -1.143 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -0.038 3.155 -1.413 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 0.120 4.617 1.879 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -0.735 4.441 1.344 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -0.045 4.023 2.705 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 16 24 ATOM 24 C LIG 1 0.834 1.629 2.073 0.00 0.00 +0.179 C BRANCH 24 25 ATOM 25 O LIG 1 -0.223 2.071 2.928 0.00 0.00 -0.393 OA ATOM 26 H LIG 1 -0.472 1.309 3.481 0.00 0.00 +0.209 HD ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 2 15 BRANCH 1 27 ATOM 27 C LIG 1 0.908 0.010 -1.717 0.00 0.00 +0.161 C BRANCH 27 32 ATOM 28 C LIG 1 3.979 -3.179 0.264 0.00 0.00 +0.147 A ATOM 29 C LIG 1 3.066 -2.684 -0.681 0.00 0.00 +0.147 A ATOM 30 N LIG 1 2.563 -3.209 -1.855 0.00 0.00 -0.231 NA ATOM 31 C LIG 1 1.764 -2.276 -2.326 0.00 0.00 +0.202 A ATOM 32 N LIG 1 1.685 -1.198 -1.484 0.00 0.00 -0.310 N ATOM 33 C LIG 1 2.533 -1.427 -0.435 0.00 0.00 +0.166 A ATOM 34 N LIG 1 2.801 -0.621 0.607 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 3.681 -1.205 1.448 0.00 0.00 +0.225 A ATOM 36 N LIG 1 4.265 -2.418 1.345 0.00 0.00 -0.219 NA BRANCH 28 37 ATOM 37 N LIG 1 4.594 -4.418 0.152 0.00 0.00 -0.341 N ATOM 38 H LIG 1 4.109 -5.060 -0.465 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 4.917 -4.771 1.043 0.00 0.00 +0.144 HD ENDBRANCH 28 37 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 8