REMARK  Name = BDB012206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.558   0.954   0.380  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        2.988   0.146   1.558  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        1.957  -0.893   1.126  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        0.971  -0.339   0.202  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.367  -0.694   0.357  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.742  -1.474   1.232  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.465   0.477  -0.907  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        2.986   0.532  -0.977  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        8.347  -0.255   0.121  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1        7.211   0.525   0.223  0.00  0.00    +0.085 A 
ATOM     11  N   LIG    1        7.084   1.912   0.295  0.00  0.00    -0.305 N 
ATOM     12  H   LIG    1        7.821   2.601   0.279  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        5.726   2.248   0.369  0.00  0.00    +0.328 A 
ATOM     14  N   LIG    1        5.007   1.030   0.366  0.00  0.00    -0.289 N 
ATOM     15  O   LIG    1        5.279   3.381   0.415  0.00  0.00    -0.247 OA
ATOM     16  C   LIG    1        5.928  -0.029   0.258  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        5.737  -1.393   0.186  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        6.874  -2.204   0.084  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        8.166  -1.643   0.053  0.00  0.00    +0.021 A 
BRANCH   9  21
ATOM     20  N   LIG    1       10.714   0.790   0.052  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        9.654   0.319   0.084  0.00  0.00    +0.101 C 
ENDBRANCH   9  21
ENDBRANCH   1  14
BRANCH   5  22
ATOM     22  C   LIG    1       -1.352  -0.078  -0.628  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.803  -0.401  -0.269  0.00  0.00    +0.017 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.772   0.178  -1.297  0.00  0.00    +0.075 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.205  -0.020  -0.862  0.00  0.00    +0.110 A 
ATOM     26  N   LIG    1       -5.681  -1.301  -0.923  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1       -5.097  -2.062  -1.239  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -6.959  -1.646  -0.563  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1       -7.367  -2.799  -0.637  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -7.805  -0.539  -0.088  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -7.235   0.737  -0.055  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1       -8.016   1.804   0.392  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -9.339   1.597   0.797  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -9.894   0.317   0.757  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -9.127  -0.759   0.314  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -5.910   0.984  -0.454  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6