REMARK  Name = BDB001501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.407   2.135   1.249  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -2.552   2.864   1.517  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -2.513   4.022   2.191  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -3.734   2.359   1.046  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -3.817   1.209   0.350  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.672   0.546   0.126  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.473   0.976   0.560  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.175   2.624   1.754  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.145   3.637   1.685  0.00  0.00    +0.154 HD
BRANCH   8  13
ATOM     10  C   LIG    1        3.704   0.936   1.806  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.524   2.318   1.889  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.234   2.857   1.860  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.103   2.032   1.742  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        1.303   0.646   1.716  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.591   0.098   1.747  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1        5.875   0.836   2.689  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        5.083   0.399   1.858  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        5.477  -0.567   0.958  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1        6.450  -0.830   1.068  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.803  -0.971  -0.233  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        4.532  -0.007  -1.355  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        5.566  -1.079  -1.526  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   6  23
ATOM     23  N   LIG    1       -2.637  -0.648  -0.586  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -1.679  -0.962  -0.651  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.604  -1.447  -1.204  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -3.185  -2.612  -1.870  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -4.099  -3.455  -2.508  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -5.449  -3.141  -2.488  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1       -5.897  -1.998  -1.839  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -4.974  -1.159  -1.201  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  O   LIG    1       -6.311  -3.986  -3.121  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1       -7.213  -3.638  -3.019  0.00  0.00    +0.292 HD
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7