REMARK  Name = BDB021316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.886   0.742  -0.029  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.350  -0.215   0.881  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.027  -0.300   0.966  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.315  -1.287   1.881  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.092  -1.743   2.315  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.894   0.508   0.203  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.387   1.365  -0.641  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.934  -1.077   1.692  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.015   1.454  -0.740  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.040   1.246  -0.685  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        4.547  -0.003  -0.594  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.213  -0.117  -0.374  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        2.332   0.959  -0.261  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.893   2.238  -0.349  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.263   2.386  -0.565  0.00  0.00    +0.068 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.389   1.445  -0.889  0.00  0.00    -0.474 OA
BRANCH  16  17
ATOM     17  C   LIG    1        7.148   0.249  -1.086  0.00  0.00    +0.258 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.569  -0.381   0.243  0.00  0.00    +0.200 C 
BRANCH  18  20
ATOM     19  C   LIG    1        9.825  -1.064  -0.070  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        8.471  -1.476   0.055  0.00  0.00    -0.380 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        0.153  -2.775   3.277  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.306  -3.616   4.063  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.254   0.360   0.369  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.575  -0.022   1.252  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.187   1.316  -0.203  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.584   0.780  -0.084  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.046  -0.272  -0.869  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.339  -1.087  -1.888  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.539  -1.806  -2.505  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.624  -1.818  -1.548  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.333  -0.771  -0.714  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.214  -0.259   0.217  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.776   0.800   1.011  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.478   1.306   0.857  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.086   2.311   1.654  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 9