REMARK  Name = BDB044076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603  -0.072  -0.884  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.806   0.038  -0.106  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.885  -0.151  -0.965  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -2.358  -0.380  -2.216  0.00  0.00    -0.357 N 
ATOM      5  H   LIG    1       -2.915  -0.584  -3.035  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -0.988  -0.331  -2.192  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.189  -0.547  -3.427  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.442   0.232   0.247  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        2.964  -0.788  -0.579  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        3.835  -1.886  -1.115  0.00  0.00    +0.066 C 
ATOM     11  N   LIG    1        1.655  -0.867  -0.946  0.00  0.00    -0.251 NA
ATOM     12  C   LIG    1        0.790   0.064  -0.470  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        1.190   1.094   0.370  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.531   1.173   0.736  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     15  C   LIG    1        4.849   0.367   0.674  0.00  0.00    +0.341 C 
ATOM     16  O   LIG    1        5.175   0.726   1.794  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.681   0.122  -0.365  0.00  0.00    -0.461 OA
BRANCH  17  19
ATOM     18  C   LIG    1        7.501   1.718  -0.313  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.082   0.277  -0.093  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1       -1.944   0.274   1.325  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -2.667   1.374   1.803  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.779   1.599   3.176  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.167   0.731   4.079  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.443  -0.365   3.611  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.331  -0.594   2.238  0.00  0.00    +0.008 A 
ENDBRANCH   2  20
BRANCH   3  26
ATOM     26  C   LIG    1       -4.331  -0.188  -0.740  0.00  0.00    -0.001 A 
ATOM     27  C   LIG    1       -4.880  -1.021   0.242  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -6.261  -1.060   0.450  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.105  -0.266  -0.325  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.570   0.567  -1.306  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.189   0.605  -1.513  0.00  0.00    +0.010 A 
ENDBRANCH   3  26
TORSDOF 6