REMARK  Name = BDB023919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.463   4.822  -2.388  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.329   4.262  -1.568  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.549   3.057  -0.912  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.441   2.584  -0.057  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.638   1.155   0.303  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.779   0.242   0.962  0.00  0.00    +0.099 A 
ATOM      7  N   LIG    1       -1.353  -0.966   1.073  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.561  -0.832   0.487  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.779   0.432   0.029  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.961   0.974  -0.681  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.900   2.517  -0.638  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.257   4.864  -1.506  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.572   0.487   1.459  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        1.694   0.154   0.646  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.992   0.440   1.112  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.103   0.126   0.314  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.910  -0.465  -0.930  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.681  -0.759  -1.406  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.157   1.036   2.370  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.056   1.345   3.170  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        1.621  -0.452  -0.619  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.755   1.071   2.732  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -0.405   1.409   3.630  0.00  0.00    +0.044 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.010  -0.816  -1.812  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.358  -0.616  -1.586  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        7.008  -1.100  -2.686  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.431  -1.115  -2.918  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.183  -1.605  -3.618  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.970  -1.431  -3.085  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.440  -1.994   0.385  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.919  -2.978  -0.672  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.510  -4.357  -0.436  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -3.221  -4.895   0.853  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.842  -3.942   1.847  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.670  -2.672   1.745  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3