REMARK Name = BDB010236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.848 -1.442 -1.187 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.562 -1.322 -0.668 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.505 -1.862 -1.351 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.675 -1.577 -0.729 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.388 -0.882 0.357 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.403 -2.557 -2.493 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.866 -2.682 -2.903 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.003 -0.791 0.482 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -1.971 -2.169 -2.313 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.354 -0.293 1.139 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.776 -0.596 0.767 0.00 0.00 +0.079 C ATOM 12 C LIG 1 4.546 -1.125 2.012 0.00 0.00 +0.023 C ATOM 13 C LIG 1 3.637 -1.907 2.959 0.00 0.00 +0.003 C ATOM 14 C LIG 1 2.471 -1.042 3.454 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.206 0.140 2.521 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 4.469 0.663 0.155 0.00 0.00 +0.010 C ATOM 17 C LIG 1 3.748 1.224 -1.094 0.00 0.00 +0.005 C ATOM 18 C LIG 1 4.297 0.636 -2.388 0.00 0.00 +0.000 C ATOM 19 C LIG 1 5.773 0.989 -2.582 0.00 0.00 +0.000 C ATOM 20 C LIG 1 6.511 1.243 -1.268 0.00 0.00 +0.000 C ATOM 21 C LIG 1 5.961 0.372 -0.146 0.00 0.00 +0.005 C ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.958 -0.846 -0.600 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.743 0.087 -0.263 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.273 0.146 -2.429 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.235 -0.906 -1.318 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -5.360 -0.616 -0.319 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.812 -0.934 -0.773 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -7.090 -1.385 0.675 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.580 -1.677 0.797 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -1.113 -3.457 -4.171 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -2.192 -3.651 -4.710 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 0.013 -3.962 -4.725 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -0.302 -4.423 -5.528 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.797 -0.374 1.622 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -1.258 1.068 1.569 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -2.450 1.415 2.225 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -2.915 2.733 2.223 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -2.196 3.740 1.567 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -0.993 3.403 0.929 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.528 2.084 0.933 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -2.682 5.169 1.580 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -2.337 5.862 0.457 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.176 5.878 2.627 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.037 5.270 1.677 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10