REMARK  Name = BDB062130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.123  -1.952  -0.382  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.211  -1.560  -0.452  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -1.901  -2.756  -0.424  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -3.334  -2.929  -0.430  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.995  -3.774  -0.355  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.236  -3.322  -0.319  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.850  -0.242  -0.540  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.919   0.658   0.560  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.520   1.932   0.398  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -2.600   2.816   1.417  0.00  0.00    -0.254 NA
ATOM     11  C   LIG    1       -2.094   2.482   2.622  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -1.504   1.268   2.885  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.046   2.262  -0.853  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -2.997   1.369  -1.931  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -1.425   0.351   1.845  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.404   0.124  -1.773  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.663   3.541  -1.064  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1       -4.179   4.552  -1.308  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.960  -0.299  -2.746  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        1.657  -0.263  -1.412  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        1.284  -1.073  -0.316  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.061  -1.040   0.868  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        1.817  -1.978   2.022  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.149  -0.154   0.959  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.483   0.701  -0.096  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        2.734   0.634  -1.275  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.643   1.655   0.031  0.00  0.00    +0.113 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.405   2.648   1.072  0.00  0.00    -0.326 NA
ATOM     29  H   LIG    1        3.536   3.138   0.862  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        5.144   3.346   1.040  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5