REMARK  Name = BDB023930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.287  -4.208   1.716  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.047  -3.744   0.997  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.102  -2.513   0.356  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.901  -2.134  -0.412  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.918  -0.679  -0.719  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.927   0.148  -1.298  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.373   1.404  -1.441  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.616   1.399  -0.916  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.989   0.158  -0.484  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.255  -0.281   0.151  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.366  -1.817   0.027  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.032  -4.443   1.002  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.414  -0.230  -1.719  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.458  -0.413  -0.792  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.289  -0.217   0.690  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        2.545   0.244   1.418  0.00  0.00    +0.225 C 
ATOM     17  N   LIG    1        3.780  -0.180   0.897  0.00  0.00    -0.264 N 
ATOM     18  C   LIG    1        3.790  -1.112  -0.227  0.00  0.00    +0.149 C 
ATOM     19  O   LIG    1        2.405   0.904   2.453  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.714  -0.841  -1.243  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        2.931  -1.064  -2.609  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.907  -0.846  -3.528  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.652  -0.431  -3.085  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        4.973   0.196   1.560  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        6.234  -0.389   1.472  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        6.747  -1.601   0.778  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        7.061   0.388   2.254  0.00  0.00    -0.270 N 
ATOM     28  C   LIG    1        8.482   0.229   2.467  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        6.430   1.386   2.885  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1        5.168   1.268   2.473  0.00  0.00    +0.158 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  31
ATOM     31  C   LIG    1       -3.356   2.655  -0.893  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -3.797   3.069   0.511  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -4.473   4.436   0.470  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -5.140   4.707  -0.764  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -5.667   3.545  -1.390  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -4.528   2.663  -1.885  0.00  0.00    +0.055 C 
ENDBRANCH   8  31
TORSDOF 3