REMARK  Name = BDB063233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.810   0.231  -0.481  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1       -0.409  -0.279  -0.217  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.482   0.521  -0.414  0.00  0.00    +0.258 A 
ATOM      4  N   LIG    1       -1.360   1.774  -0.882  0.00  0.00    -0.110 NA
ATOM      5  N   LIG    1       -0.137   2.287  -1.177  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1        0.938   1.508  -0.982  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.786  -0.001  -0.146  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.063  -1.351   0.123  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -4.445  -1.418   0.241  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -5.079  -2.645   0.492  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.302  -3.798   0.622  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.918  -3.729   0.499  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -5.009  -0.193   0.089  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -2.273  -2.511   0.246  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.019   0.660  -0.106  0.00  0.00    +0.121 A 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.468   2.166  -0.156  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -3.628   3.327   0.272  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -3.992   3.145  -1.183  0.00  0.00    +0.012 C 
ENDBRANCH  15  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.891  -0.629  -0.272  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        1.546  -1.535   0.032  0.00  0.00    +0.154 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.949  -0.015   0.791  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        5.510  -1.225   0.241  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.164  -1.405  -0.094  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.220  -0.390   0.118  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        3.662   0.814   0.674  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.009   0.999   1.014  0.00  0.00    +0.014 A 
BRANCH  21  28
ATOM     27  F   LIG    1        7.644  -0.205   2.459  0.00  0.00    -0.166 F 
ATOM     28  C   LIG    1        7.396   0.177   1.177  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        8.256  -0.538   0.399  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.804   1.474   1.086  0.00  0.00    -0.166 F 
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5