REMARK Name = BDB010136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.621 -1.775 0.567 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.254 -1.593 0.739 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.614 -2.660 0.564 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.913 -2.291 0.749 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.870 -1.027 1.092 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.226 -3.904 0.250 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.104 -4.015 0.144 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.574 -0.550 1.089 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.022 -3.031 0.291 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.547 -0.742 0.675 0.00 0.00 -0.324 N ATOM 11 H LIG 1 -2.198 0.117 0.265 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.087 -0.999 -1.224 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -3.939 -1.029 0.298 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 -4.849 -0.007 1.009 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -6.378 -0.067 0.752 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -6.250 1.192 -0.122 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -4.892 1.472 0.543 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 18 ATOM 18 N LIG 1 2.923 -0.215 1.393 0.00 0.00 -0.301 N ATOM 19 C LIG 1 3.338 -0.303 2.801 0.00 0.00 +0.132 C BRANCH 18 20 ATOM 20 C LIG 1 4.027 -0.252 0.396 0.00 0.00 +0.076 C ATOM 21 C LIG 1 5.097 -1.314 0.679 0.00 0.00 +0.022 C ATOM 22 C LIG 1 6.122 -1.391 -0.457 0.00 0.00 +0.002 C ATOM 23 C LIG 1 6.372 -0.049 -1.149 0.00 0.00 +0.000 C ATOM 24 C LIG 1 6.102 1.130 -0.224 0.00 0.00 +0.002 C ATOM 25 C LIG 1 4.650 1.153 0.262 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 5 18 BRANCH 7 26 ATOM 26 C LIG 1 -1.622 -5.391 -0.186 0.00 0.00 +0.375 C ATOM 27 O LIG 1 -0.964 -6.406 -0.346 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 -2.970 -5.444 -0.308 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 -3.145 -6.385 -0.516 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 0.175 0.798 1.464 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 C LIG 1 -0.175 1.685 0.287 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.174 2.658 0.443 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.511 3.514 -0.608 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.850 3.424 -1.841 0.00 0.00 +0.055 A ATOM 35 C LIG 1 0.171 2.476 -1.988 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.509 1.621 -0.935 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -1.201 4.363 -2.969 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -2.522 4.695 -2.990 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.520 5.539 -2.893 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.928 3.849 -4.200 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10