REMARK  Name = BDB031639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.882  -1.752   0.423  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.480  -2.351   1.709  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.057  -2.519   1.788  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.607  -3.364   0.719  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.121  -3.220  -0.551  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.941  -1.915  -0.700  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.238   0.707   0.101  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.258   0.862  -0.821  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.182   0.050  -0.684  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.214   0.247  -1.595  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        2.995  -0.927   0.320  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.056  -1.031   1.233  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.185  -0.215   1.133  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        7.442   3.350  -1.462  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.348   2.497  -1.087  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        5.539   2.401  -1.696  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.433   1.599  -0.044  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.394   1.508   0.711  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.066  -3.362   0.617  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.716  -2.063   0.185  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.127  -1.117   1.139  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -3.718   0.083   0.733  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.919   0.365  -0.630  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -4.541   1.642  -0.949  0.00  0.00    +0.141 A 
ATOM     25  O   LIG    1       -4.776   2.045  -2.251  0.00  0.00    -0.490 OA
ATOM     26  C   LIG    1       -5.547   3.260  -2.081  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1       -5.461   3.713  -0.619  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -4.895   2.506  -0.006  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -4.699   2.230   1.417  0.00  0.00    +0.256 A 
ATOM     30  O   LIG    1       -5.035   3.028   2.284  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -3.522  -0.583  -1.570  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -3.699  -0.374  -2.882  0.00  0.00    -0.205 F 
ATOM     33  N   LIG    1       -4.115   1.020   1.710  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -3.976   0.827   2.692  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -2.931  -1.783  -1.172  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4