REMARK  Name = BDB062145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.831  -2.437   0.172  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        2.083  -1.832   0.233  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1        2.958  -2.873  -0.001  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        4.396  -2.789  -0.084  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        2.231  -4.015  -0.174  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.943  -3.785  -0.083  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.502  -0.446   0.475  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.435   0.564  -0.525  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1        2.836   1.891  -0.203  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.753   2.886  -1.209  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.301   2.597  -2.496  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.924   1.303  -2.814  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.306   2.167   1.106  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        3.386   1.154   2.068  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.995   0.304  -1.844  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.991  -0.140   1.752  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1        3.725   3.486   1.497  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        4.069   4.546   1.821  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  23
ATOM     19  C   LIG    1       -2.942  -0.415   0.460  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1       -2.120  -0.541   1.585  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -0.898  -1.238   1.527  0.00  0.00    -0.041 A 
ATOM     22  C   LIG    1       -0.123  -1.371   2.810  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -0.461  -1.773   0.294  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -1.303  -1.681  -0.841  0.00  0.00    -0.041 A 
ATOM     25  C   LIG    1       -0.974  -2.354  -2.149  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -2.530  -1.004  -0.740  0.00  0.00    +0.009 A 
BRANCH  19  27
ATOM     27  C   LIG    1       -4.258   0.323   0.539  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.234   1.524  -0.297  0.00  0.00    -0.312 NA
ATOM     29  H   LIG    1       -3.439   2.099  -0.021  0.00  0.00    +0.122 HD
BRANCH  28  31
ATOM     30  C   LIG    1       -5.408   3.526  -1.040  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -5.473   2.284  -0.165  0.00  0.00    +0.078 C 
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  19  27
ENDBRANCH   1  23
TORSDOF 6