REMARK  Name = BDB023955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.081  -3.995   3.834  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.937  -3.017   3.757  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.929  -2.125   2.692  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.836  -1.132   2.698  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.718  -0.477   1.368  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.743   0.415   0.855  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -2.032   0.760  -0.409  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -3.152   0.079  -0.717  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.613  -0.654   0.335  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.809  -1.526   0.403  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.130  -1.812   1.886  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.053  -3.033   4.614  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.562   0.947   1.532  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.751   0.729   1.029  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        1.850   1.259   1.729  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.149   1.042   1.240  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.365   0.315   0.070  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.324  -0.221  -0.596  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        1.635   1.992   2.909  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        0.347   2.207   3.395  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.071  -0.002  -0.123  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -0.748   1.689   2.709  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        4.657   0.089  -0.401  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        5.607   1.217  -0.391  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        6.364   1.355  -1.734  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1        7.020   0.131  -2.237  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        8.405   0.029  -1.786  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        6.258  -1.084  -1.861  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        4.766  -0.828  -1.548  0.00  0.00    +0.122 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.731   0.185  -2.056  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -4.483   1.507  -2.242  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.553   2.641  -2.645  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.816   2.273  -3.809  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -1.923   1.191  -3.542  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.708  -0.062  -3.174  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3