REMARK  Name = BDB064523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.964  -2.596  -0.467  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        4.186  -1.899  -0.420  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        5.476  -2.403  -0.515  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        6.333  -1.418  -0.469  0.00  0.00    -0.192 NA
ATOM      5  C   LIG    1        5.556  -0.295  -0.291  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        4.235  -0.550  -0.246  0.00  0.00    -0.139 NA
ATOM      7  O   LIG    1        3.016  -3.823  -0.585  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.012  -0.897  -0.192  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.706  -2.165   0.319  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.587  -2.699   0.229  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.615  -1.972  -0.379  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        1.325  -0.723  -0.926  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.029  -0.199  -0.827  0.00  0.00    +0.024 A 
BRANCH   8  17
ATOM     14  N   LIG    1       -4.854   0.797   0.765  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1       -4.775  -0.457  -0.015  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -3.434  -1.199   0.205  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1       -2.292  -0.324  -0.136  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1       -2.341   0.961   0.606  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -3.708   1.659   0.403  0.00  0.00    +0.103 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -6.649   1.789  -0.751  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -6.143   1.508   0.669  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -7.220   0.762   1.468  0.00  0.00    +0.024 C 
ENDBRANCH  14  21
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  23
ATOM     23  C   LIG    1        6.131   1.055  -0.166  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        7.474   1.176  -0.337  0.00  0.00    -0.252 NA
ATOM     25  C   LIG    1        8.009   2.410  -0.224  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        7.271   3.548   0.052  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.899   3.415   0.224  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.318   2.153   0.114  0.00  0.00    +0.031 A 
ENDBRANCH   5  23
BRANCH   3  29
ATOM     29  N   LIG    1        5.775  -3.710  -0.639  0.00  0.00    -0.327 N 
ATOM     30  H   LIG    1        6.706  -3.957  -0.955  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        5.041  -4.380  -0.872  0.00  0.00    +0.145 HD
ENDBRANCH   3  29
TORSDOF 5