REMARK Name = BDB010343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.729 -2.103 0.805 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.503 -1.873 0.194 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.155 -2.909 -0.451 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.359 -2.511 -0.950 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.460 -1.242 -0.636 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.327 -4.156 -0.559 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.527 -4.293 0.019 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.318 -0.786 -0.009 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.232 -3.345 0.684 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.523 -0.421 -0.877 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.675 -0.672 0.057 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.013 -0.225 -0.587 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.334 -0.944 -1.791 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.166 -1.368 -2.515 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.962 -0.440 -2.302 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.420 0.017 1.391 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.100 -0.754 2.521 0.00 0.00 +0.005 A ATOM 18 C LIG 1 2.835 -0.144 3.749 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.882 1.244 3.863 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.190 2.023 2.750 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.455 1.415 1.521 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.422 -1.125 1.512 0.00 0.00 -0.317 N ATOM 23 H LIG 1 -1.785 -0.594 2.102 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.840 -1.555 1.287 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -3.646 -1.558 2.244 0.00 0.00 +0.173 C BRANCH 25 26 ATOM 26 C LIG 1 -3.953 -0.642 3.448 0.00 0.00 +0.407 C ATOM 27 F LIG 1 -5.012 -1.084 4.160 0.00 0.00 -0.169 F ATOM 28 F LIG 1 -4.210 0.630 3.066 0.00 0.00 -0.169 F ATOM 29 F LIG 1 -2.888 -0.597 4.288 0.00 0.00 -0.169 F ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.147 -5.663 -0.075 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -1.683 -6.645 -0.631 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.347 -5.753 0.547 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -3.615 -6.683 0.396 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.026 0.598 0.319 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.047 1.243 -0.581 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.563 1.342 -2.043 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.285 2.454 -2.795 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.967 3.833 -2.191 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.073 4.829 -2.543 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.727 3.770 -0.671 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.478 2.614 -0.018 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9