REMARK  Name = BDB018428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.283  -1.964  -0.841  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        0.090  -1.264  -1.349  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.639  -1.880  -2.302  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.307  -3.120  -2.821  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.153  -3.688  -3.858  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.815  -3.821  -2.399  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.172  -4.912  -2.835  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.618  -3.170  -1.337  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.803  -0.485   2.303  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        2.516  -0.952   2.583  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.694  -1.436   1.563  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.154  -1.459   0.242  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        3.445  -0.993  -0.038  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.265  -0.508   0.987  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.804   0.470   3.159  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.498  -0.040   3.393  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.298   0.029  -0.864  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.556   0.394  -0.436  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -1.500   1.725  -0.074  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1       -0.230   2.203  -0.196  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.475   1.188  -0.694  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.526   2.561   0.456  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1       -3.898   2.282   0.345  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -4.840   3.092   1.004  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -4.428   4.204   1.737  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.076   4.521   1.807  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.132   3.710   1.170  0.00  0.00    +0.028 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.479   1.244  -0.521  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -5.282   0.396  -0.189  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.080   1.405  -1.793  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -4.594   0.742  -2.301  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 6