REMARK  Name = BDB015231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.665   0.048  -0.908  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.017  -0.471   0.219  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.637  -0.329   0.351  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.104   0.359  -0.608  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.536   0.873  -1.735  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.915   0.713  -1.888  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        7.168   2.028   1.369  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        7.372   1.059   0.263  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        6.330   0.460  -0.423  0.00  0.00    -0.303 N 
ATOM     10  C   LIG    1        6.910  -0.371  -1.371  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        6.052  -1.113  -2.224  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.718  -0.988  -2.084  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.119  -0.110  -1.075  0.00  0.00    -0.001 A 
ATOM     14  C   LIG    1        8.266  -0.232  -1.204  0.00  0.00    +0.139 A 
ATOM     15  C   LIG    1        4.949   0.591  -0.273  0.00  0.00    +0.101 A 
ATOM     16  N   LIG    1        8.543   0.654  -0.195  0.00  0.00    -0.240 NA
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1        0.041  -0.813   1.483  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.762  -1.972   1.189  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.827  -2.122   2.285  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.175  -2.274   3.557  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -0.483  -1.585   3.588  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.786  -0.913   2.365  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.493  -0.602   1.110  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.098   0.744   1.199  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.949   1.105  -0.000  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.484   0.106  -0.831  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.295   0.462  -1.917  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.595   1.802  -2.161  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.083   2.794  -1.329  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.130  -1.339  -0.591  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.267   2.448  -0.251  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.547  -1.585   0.808  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7