REMARK  Name = BDB014751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.126   4.991   0.045  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.809   3.689   0.383  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.035   2.535   0.332  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.701   2.509  -0.305  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.945   1.293   0.093  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.606   0.893  -0.166  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.360  -0.296   0.394  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.508  -0.658   0.994  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.492   0.266   0.831  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.883   0.232   1.339  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.721   1.240   0.527  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.998   3.683   0.699  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.248   1.656  -0.896  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.104   2.528  -1.265  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.598   1.454  -1.271  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.371   0.364  -0.848  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.707   0.181  -1.258  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.268   1.136  -2.118  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.523   2.231  -2.551  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.201   2.385  -2.131  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.485  -0.985  -0.801  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        3.957  -2.284  -0.884  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.700  -3.378  -0.450  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        4.176  -4.608  -0.540  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.976  -3.217   0.075  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.518  -1.939   0.169  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.778  -0.835  -0.266  0.00  0.00    +0.009 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -1.569  -1.916   1.726  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.990  -3.057   0.846  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -1.632  -4.474   1.219  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -0.970  -3.820   0.038  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5