REMARK  Name = BDB058457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.986  -1.157   0.456  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.632  -0.953   0.149  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.129  -2.148  -0.369  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.182  -2.271  -0.769  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.001  -1.143  -0.633  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.510   0.081  -0.117  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        1.171  -3.083  -0.393  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.074  -4.420  -0.902  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.164   0.167   0.283  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        2.340  -2.475   0.097  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.458  -2.961   0.175  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.336   1.212   0.062  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -1.824   2.089  -0.011  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.734   1.334   0.237  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.434   2.462  -0.230  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -5.812   2.495  -0.062  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -6.795   3.811  -0.585  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.533   1.513   0.522  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -5.849   0.443   0.964  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.475   0.310   0.841  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.748   3.544  -0.862  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.133   4.399  -1.349  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        2.909  -0.173   0.983  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.950   0.259  -0.069  0.00  0.00    +0.134 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.590   2.787   0.025  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        4.560   1.634   0.228  0.00  0.00    +0.030 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  O   LIG    1        5.040  -0.672  -0.095  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1        4.664  -1.580  -0.104  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7