REMARK  Name = BDB013232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.606   0.580  -0.301  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -2.107  -0.708  -0.647  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.779  -0.954  -0.398  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.573  -2.255  -0.751  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.683  -2.763  -1.238  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.085  -0.000   0.146  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.375   1.172   0.491  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.652  -1.785  -1.175  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.715   1.427   0.264  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.542  -0.339   0.001  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -6.398   0.573  -0.313  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -5.073   0.157  -0.141  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.012   1.008  -0.474  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.353   2.252  -1.003  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1       -5.621   2.690  -1.190  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -6.611   1.837  -0.846  0.00  0.00    +0.114 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        1.416  -0.290   0.348  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.794   0.419   0.974  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.302  -0.395  -0.808  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.660  -0.839  -0.356  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.625   0.045   0.115  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.569   1.514   0.313  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        6.053   1.790   0.559  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.688   0.576   1.017  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.856  -0.416   0.567  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.184  -1.757   0.578  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.234  -2.662   0.105  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.992  -2.201  -0.351  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.098  -3.100  -0.789  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4