REMARK  Name = BDB053749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.273  -0.094  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.230   0.855  -0.207  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.726   1.667  -1.223  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.458   1.081  -1.671  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        1.226   1.617  -2.655  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        0.784   2.778  -3.171  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -0.352   3.452  -2.763  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.135   2.903  -1.752  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.682  -0.101  -0.927  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.772  -1.052  -1.055  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        3.072  -0.585  -0.876  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.432   0.753  -0.394  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        4.767   0.750   0.391  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1        5.110   2.159   0.871  0.00  0.00    +0.025 C 
ATOM     15  N   LIG    1        5.912   0.188  -0.356  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1        6.442   0.928  -0.814  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.497  -0.793  -1.375  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        4.179  -1.520  -1.065  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.544  -2.238  -1.292  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  20
ATOM     20  C   LIG    1       -2.350   1.180   0.609  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.533   1.657   0.032  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.620   1.982   0.844  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.528   1.838   2.228  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.350   1.365   2.804  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.260   1.034   1.998  0.00  0.00    +0.026 A 
ENDBRANCH   2  20
BRANCH   1  26
ATOM     26  O   LIG    1       -0.660  -1.319   0.708  0.00  0.00    -0.438 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -1.436  -2.267   3.234  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -2.267  -2.474   1.997  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.859  -2.007   0.727  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1       -2.625  -2.315  -0.416  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1       -2.192  -2.014  -1.823  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -3.862  -2.962  -0.245  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -4.304  -3.351   1.017  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -3.504  -3.121   2.130  0.00  0.00    +0.007 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4