REMARK  Name = BDB031211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.844  -1.173   0.762  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.698  -1.963   0.925  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.437  -1.369   0.770  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.208  -1.956   0.833  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.675  -0.996   0.631  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1       -0.039   0.231   0.412  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.332  -0.008   0.498  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.473   0.793   0.314  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.728   0.189   0.464  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.656   1.490   0.149  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.144   2.651   0.754  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.791   3.832   0.474  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.900   3.896  -0.367  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -2.311   5.221  -0.434  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -3.087   5.597  -0.956  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -1.465   5.997   0.370  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -1.532   7.200   0.551  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -2.422   2.781  -0.975  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -0.525   5.118   0.929  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        0.205   5.412   1.557  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.786   1.561  -0.709  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.125  -1.210   0.738  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -2.826  -2.038  -0.176  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.222  -2.151   0.002  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1       -4.950  -2.936  -0.883  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -4.344  -3.619  -1.939  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.973  -3.522  -2.121  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -4.886  -1.526   0.988  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1       -4.182  -0.776   1.859  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1       -2.219  -2.739  -1.249  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.819  -0.590   1.780  0.00  0.00    +0.032 A 
ENDBRANCH   5  22
BRANCH   1  35
ATOM     32  C   LIG    1        7.497  -1.945   0.175  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        6.205  -1.304   0.177  0.00  0.00    -0.314 N 
ATOM     34  H   LIG    1        5.980  -0.703  -0.604  0.00  0.00    +0.149 HD
ATOM     35  C   LIG    1        5.171  -1.826   0.929  0.00  0.00    +0.244 C 
ATOM     36  O   LIG    1        5.294  -2.789   1.675  0.00  0.00    -0.270 OA
ENDBRANCH   1  35
TORSDOF 3