REMARK  Name = BDB062129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.459  -1.848   0.545  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.863  -1.426   0.633  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -1.504  -2.495   1.229  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.917  -2.631   1.484  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.569  -3.450   1.511  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.625  -3.093   1.102  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.532  -0.209   0.163  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.043   0.777   1.055  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -2.710   1.916   0.524  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.222   2.883   1.426  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.080   2.751   2.807  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.418   1.652   3.326  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.833   2.044  -0.884  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -2.309   1.071  -1.742  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.906   0.683   2.463  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.666  -0.044  -1.222  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.493   3.171  -1.484  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -4.030   4.077  -1.973  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        1.745   0.478   1.891  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        2.155  -0.018   0.530  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        1.547  -1.126  -0.097  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.005  -1.553  -1.367  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        1.438  -2.773  -2.046  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.037  -0.844  -2.004  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.624   0.275  -1.405  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        3.170   0.684  -0.145  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.704   1.048  -2.116  0.00  0.00    +0.113 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.137   2.110  -2.940  0.00  0.00    -0.326 NA
ATOM     29  H   LIG    1        3.577   2.718  -2.344  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        3.478   1.694  -3.597  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5