REMARK  Name = BDB007614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.035   2.024   0.168  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.372   0.886  -0.058  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.418  -0.096  -0.625  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.022  -0.898  -1.058  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.784   0.519   0.258  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.693   1.545   0.524  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -4.028   1.253   0.844  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.497  -0.062   0.880  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.563  -1.080   0.648  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -2.224  -0.801   0.336  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -5.788  -0.431   1.264  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -6.086  -1.296   0.813  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.891   0.533   1.361  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1       -8.002  -0.077   2.224  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -8.732  -1.224   1.519  0.00  0.00    +0.082 C 
ATOM     16  N   LIG    1       -8.844  -1.071   0.068  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -9.704  -1.508  -0.260  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -8.787   0.324  -0.348  0.00  0.00    +0.082 C 
ATOM     19  C   LIG    1       -7.417   0.924  -0.030  0.00  0.00    +0.037 C 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.737   0.222  -1.147  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.608  -1.040  -1.269  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.906  -1.981  -2.107  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.423  -2.810  -2.082  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.991  -0.728  -1.894  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.122  -0.603  -0.949  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.365  -0.364  -1.718  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.580  -0.058  -0.873  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.446   0.372   0.456  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.594   0.669   1.214  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.860   0.573   0.641  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.992   0.176  -0.686  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.077   0.454   1.082  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.863  -0.138  -1.439  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.946   0.470   0.042  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8