REMARK  Name = BDB063005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -1.612   0.522  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.983  -2.871   0.613  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        2.289  -3.212   1.124  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.062  -3.779   0.173  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.068  -3.201  -0.158  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.864  -1.859   0.064  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.460   2.069  -1.901  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        4.337   1.389  -1.177  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        3.824   1.935   0.008  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        2.761   1.362   0.695  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        2.172   0.186   0.184  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.095  -0.371   0.922  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        0.653   0.267   2.081  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.298   1.417   2.482  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        2.674  -0.351  -1.028  0.00  0.00    +0.011 A 
ATOM     16  N   LIG    1        2.339   1.961   1.821  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        3.740   0.246  -1.700  0.00  0.00    +0.004 A 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1       -1.913  -0.867  -0.119  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -1.898   0.011  -1.224  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -0.830  -0.026  -2.283  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.901   0.990  -1.336  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -3.940   1.081  -0.403  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -3.963   0.184   0.671  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -2.964  -0.791   0.826  0.00  0.00    -0.041 A 
ATOM     25  C   LIG    1       -3.060  -1.749   1.985  0.00  0.00    +0.044 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.996   2.147  -0.534  0.00  0.00    +0.113 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.598   3.370   0.153  0.00  0.00    -0.326 NA
ATOM     28  H   LIG    1       -3.706   3.681  -0.230  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -4.407   3.146   1.129  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   6  18
TORSDOF 4