REMARK  Name = BDB056068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.211   1.878   0.249  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        1.500   1.331   0.460  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        2.345   2.410   0.422  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        1.555   3.497   0.187  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        1.845   4.465   0.091  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.241   3.208   0.082  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.839  -0.608  -0.213  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.342  -0.564  -0.085  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1       -4.672   0.669  -0.149  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -3.284   0.648   0.009  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -2.556  -0.516   0.233  0.00  0.00    +0.090 A 
ATOM     12  N   LIG    1       -1.212  -0.247   0.350  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -1.115   1.061   0.203  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -3.234  -1.740   0.310  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1       -2.338   1.638  -0.004  0.00  0.00    -0.337 N 
ATOM     16  H   LIG    1       -2.482   2.628  -0.142  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1       -4.628  -1.748   0.155  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  N   LIG    1        1.782   0.024   0.676  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.984  -0.611   0.581  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.009  -0.663   0.549  0.00  0.00    +0.128 A 
ATOM     21  N   LIG    1        4.091  -0.058   0.022  0.00  0.00    -0.217 NA
ATOM     22  C   LIG    1        5.239  -0.754  -0.051  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        6.433  -0.061  -0.626  0.00  0.00    +0.088 C 
ATOM     24  N   LIG    1        5.399  -2.005   0.395  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1        4.305  -2.560   0.930  0.00  0.00    +0.135 A 
ATOM     26 CL   LIG    1        4.534  -4.163   1.503  0.00  0.00    -0.062 Cl
ATOM     27  C   LIG    1        3.084  -1.948   1.041  0.00  0.00    +0.084 A 
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 3