REMARK  Name = BDB019822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012   0.856   1.025  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -2.268   0.438   0.771  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -3.110   0.201   1.794  0.00  0.00    +0.148 A 
ATOM      4  N   LIG    1       -4.438  -0.247   1.565  0.00  0.00    -0.304 N 
ATOM      5  C   LIG    1       -4.918  -0.571   0.184  0.00  0.00    +0.050 C 
ATOM      6  C   LIG    1       -5.221   0.733  -0.609  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -4.181   1.166  -1.635  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -3.762   0.007  -2.521  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -3.124  -1.101  -1.705  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -4.008  -1.601  -0.563  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1       -6.267  -1.339   0.371  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1       -7.210  -0.586   1.280  0.00  0.00    +0.146 C 
ATOM     13  N   LIG    1       -6.615  -0.427   2.594  0.00  0.00    -0.267 NA
ATOM     14  C   LIG    1       -5.329  -0.265   2.647  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1       -4.841  -0.095   4.048  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -3.561   0.217   4.252  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -2.684   0.416   3.106  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -1.387   0.850   3.272  0.00  0.00    +0.126 A 
ATOM     19  N   LIG    1       -0.546   1.085   2.256  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1  20
ATOM     20  N   LIG    1       -0.236   1.142  -0.097  0.00  0.00    -0.268 N 
ATOM     21  H   LIG    1       -0.773   0.874  -0.906  0.00  0.00    +0.156 HD
BRANCH  20  25
ATOM     22  C   LIG    1        3.861   0.308  -0.694  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        3.116  -0.143   0.400  0.00  0.00    +0.136 A 
ATOM     24  N   LIG    1        1.798   0.099   0.631  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        1.127   0.847  -0.260  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1        1.770   1.347  -1.388  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        3.127   1.076  -1.598  0.00  0.00    +0.028 A 
BRANCH  22  32
ATOM     28  C   LIG    1        9.242   0.143  -1.683  0.00  0.00    +0.105 C 
ATOM     29  N   LIG    1        8.101  -0.653  -1.241  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1        7.078  -0.785  -2.299  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1        5.860   0.162  -2.182  0.00  0.00    +0.120 C 
ATOM     32  N   LIG    1        5.204   0.031  -0.871  0.00  0.00    -0.326 N 
ATOM     33  C   LIG    1        6.043  -0.463   0.235  0.00  0.00    +0.120 C 
ATOM     34  C   LIG    1        7.526  -0.093   0.000  0.00  0.00    +0.103 C 
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 3