REMARK  Name = BDB063337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.494  -0.183   0.212  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.254  -1.367   0.418  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.622  -1.238   0.443  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.103  -2.493   0.679  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.106  -3.344   0.771  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.287  -0.017   0.268  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.583   1.070   0.097  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.937  -2.633   0.605  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.206   0.959   0.084  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  N   LIG    1       -5.135   0.159  -0.118  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1       -3.792  -0.048   0.144  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -3.075   0.628  -0.847  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.665   0.584  -0.830  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -0.988  -0.123   0.180  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1       -1.737  -0.799   1.150  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.019   1.245  -1.710  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -3.138  -0.772   1.153  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -5.274   0.943  -1.238  0.00  0.00    +0.087 A 
BRANCH  10  20
ATOM     19  C   LIG    1       -7.095   0.748   1.277  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -6.253  -0.372   0.665  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -7.112  -1.332  -0.160  0.00  0.00    +0.030 C 
ENDBRANCH  10  20
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  N   LIG    1        4.664   0.002   0.287  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        5.165  -0.848   0.048  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.405   1.188  -0.115  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.882   0.997  -0.061  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        7.365  -0.161  -0.605  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        8.714  -0.136  -0.454  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        9.106   1.018   0.182  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        7.923   1.752   0.438  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5