REMARK  Name = BDB062335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.733   0.750   0.535  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.047   1.789   1.105  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.146   1.943   0.403  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.004   2.976   0.820  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.605   3.762   1.900  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.612   3.496   2.511  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.174   0.941  -0.621  0.00  0.00    -0.003 A 
ATOM      8  N   LIG    1        1.477   2.521   2.154  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.013   0.231  -0.510  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.029   0.271   0.982  0.00  0.00    +0.125 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.177   1.047   0.341  0.00  0.00    +0.040 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.538   0.620   0.878  0.00  0.00    +0.109 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.220  -1.105   0.423  0.00  0.00    +0.400 C 
ATOM     14  N   LIG    1        5.915  -0.708   0.451  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        5.263  -1.478   0.504  0.00  0.00    +0.152 HD
ATOM     16  O   LIG    1        8.190  -0.381   0.577  0.00  0.00    -0.226 OA
BRANCH  13  18
ATOM     17  C   LIG    1        8.586  -2.978   0.166  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        7.263  -2.444   0.215  0.00  0.00    -0.454 OA
ENDBRANCH  13  18
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  C   LIG    1       -1.260   0.708  -1.628  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.273  -0.193  -1.073  0.00  0.00    -0.292 N 
ATOM     21  C   LIG    1       -3.437   0.381  -0.545  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1       -3.695   1.581  -0.692  0.00  0.00    -0.273 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.397  -0.547   0.242  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -5.110  -1.441  -0.624  0.00  0.00    -0.365 OA
ATOM     25  C   LIG    1       -6.521  -1.207  -0.676  0.00  0.00    +0.176 C 
ATOM     26  C   LIG    1       -6.858   0.286  -0.713  0.00  0.00    +0.109 C 
ATOM     27  N   LIG    1       -6.422   1.004   0.498  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -6.052   1.910   0.191  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.324   0.280   1.168  0.00  0.00    +0.122 C 
ENDBRANCH  21  23
BRANCH  20  30
ATOM     30  C   LIG    1       -1.902  -1.576  -0.869  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1       -2.599  -2.694  -1.601  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -1.170  -2.389  -1.911  0.00  0.00    +0.024 C 
ENDBRANCH  20  30
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 9