REMARK Name = BDB035634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.273 0.443 -2.000 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.600 -0.923 -2.218 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.708 -1.970 -1.917 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.472 -1.617 -1.389 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.330 -2.484 -0.969 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.658 -1.532 -0.476 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.207 -0.215 -0.616 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.752 0.846 -0.371 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.147 -0.284 -1.179 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.012 0.757 -1.473 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.909 -1.946 0.059 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.792 -1.030 0.653 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.044 -1.418 1.165 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.406 -2.770 1.070 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.538 -3.699 0.505 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.299 -3.291 0.008 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.037 -0.444 1.794 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.184 -0.081 0.892 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.129 0.397 -0.395 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.981 0.663 -1.221 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.421 0.589 -0.782 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.229 0.263 0.197 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.454 -0.155 1.248 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -4.388 0.809 2.376 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -3.448 0.612 3.576 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.144 1.635 4.330 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.243 1.595 3.385 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 3.077 -3.412 -2.135 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.275 -3.590 -2.754 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.144 -4.107 -0.967 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.157 -4.065 -2.900 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 3.752 2.891 -2.704 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.308 1.506 -2.343 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.473 1.562 -1.442 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 6.119 2.265 -1.801 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 5.238 1.686 0.006 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.659 1.638 0.665 0.00 0.00 +0.022 C ATOM 38 C LIG 1 6.076 0.654 1.700 0.00 0.00 +0.004 C ATOM 39 C LIG 1 5.012 0.285 0.646 0.00 0.00 +0.022 C ATOM 40 C LIG 1 4.408 2.865 0.472 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8