REMARK  Name = BDB013040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188   0.920  -0.504  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.243   1.575  -1.342  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.015   1.782  -0.828  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.704   2.436  -1.808  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.937   2.600  -2.862  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.405   1.373   0.456  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.530   0.772   1.218  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.294   2.058  -2.567  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.737   0.553   0.715  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.230  -0.016  -1.669  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.977   0.568  -0.429  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.663   0.875  -0.048  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.580   0.596  -0.895  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.846   0.020  -2.143  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.157  -0.286  -2.521  0.00  0.00    +0.046 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.452  -0.372  -2.166  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        7.616  -0.079  -1.397  0.00  0.00    +0.256 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.925  -1.203  -0.413  0.00  0.00    +0.196 C 
BRANCH  18  19
ATOM     19  O   LIG    1        9.082  -0.882   0.351  0.00  0.00    -0.392 OA
ATOM     20  H   LIG    1        9.266  -1.649   0.921  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.698   1.625   0.875  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.396   1.796   0.161  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.263   0.980   2.048  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.028  -0.246   1.627  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -5.389  -0.215   1.338  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.350   0.915   1.348  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -7.657   0.132   1.227  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.381  -1.154   0.629  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.050  -1.353   0.892  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -5.404  -2.557   0.711  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -4.042  -2.615   1.000  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.361  -1.472   1.452  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8