REMARK  Name = BDB062361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743  -1.130   0.182  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.576  -0.524  -1.075  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.799  -0.223  -1.480  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.257  -1.514  -2.150  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.038  -2.099  -2.739  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.170  -1.215  -2.203  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1        0.208  -1.667   0.755  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.177  -1.101   0.807  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.050  -0.993   2.352  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -1.891  -2.414   2.898  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.191  -3.357   1.744  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.847  -2.489   0.679  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1       -4.446   2.321  -0.694  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -3.308   2.505   0.086  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.596   1.398   0.563  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.004   0.081   0.276  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1       -4.146  -0.085  -0.521  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.857   1.023  -0.994  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -4.857   4.649  -0.925  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.229   3.309  -1.224  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.688   0.469  -0.411  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        3.041   0.200  -0.547  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        3.308  -0.479  -1.245  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.198   1.265   0.391  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.108   0.711   0.228  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        5.426   0.287  -0.067  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.495   0.779   0.679  0.00  0.00    +0.068 A 
ATOM     28  N   LIG    1        7.614   0.187   0.155  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1        8.575   0.310   0.454  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        7.367  -0.644  -0.872  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1        6.340   1.686   1.728  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        5.038   2.098   2.015  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.040  -0.584  -1.001  0.00  0.00    +0.144 A 
ATOM     34  C   LIG    1        3.946   1.623   1.283  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5