REMARK  Name = BDB013224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742  -0.184   0.216  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.069  -1.393   0.528  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.277  -1.444   0.260  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.682  -2.681   0.669  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.346  -3.358   1.130  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.995  -0.380  -0.306  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.364   0.731  -0.584  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.454  -2.543   1.043  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.989   0.800  -0.321  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.830   0.632   0.978  0.00  0.00    +0.041 A 
ATOM     11  N   LIG    1       -4.876   1.252   1.708  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1       -3.588   0.943   1.427  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -3.181   0.058   0.427  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -4.184  -0.560  -0.336  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1       -3.873  -1.550  -1.424  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.525  -0.269  -0.041  0.00  0.00    +0.027 A 
BRANCH  10  18
ATOM     17  C   LIG    1       -7.769   2.112   0.416  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -7.262   0.977   1.291  0.00  0.00    +0.052 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1        2.344  -0.535  -0.545  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.690  -1.479  -0.680  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.080   0.445  -1.327  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.551   0.175  -1.201  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.280   0.547  -0.076  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.859   1.299   1.131  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        6.083   1.059   2.014  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        7.216   0.734   1.174  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.642   0.286   0.013  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        7.337  -0.352  -0.994  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.623  -0.754  -2.123  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.249  -0.493  -2.215  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        4.592  -0.904  -3.309  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5