REMARK  Name = BDB024570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.395  -1.597  -0.153  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.761  -0.485   0.430  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.526   0.422   1.321  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.561   1.242   0.529  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.671   1.421   2.118  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.395   0.768   2.599  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.638   0.310   1.387  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.237   0.453   1.289  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.374   1.056   2.170  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.820   0.997   1.610  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.770   0.240   0.455  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.555  -0.022   0.174  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.230  -0.603  -0.903  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.620  -0.742  -0.797  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.336  -0.313   0.329  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.867  -2.442  -0.868  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.926  -0.079  -0.420  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.830  -1.424  -1.193  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -3.348  -1.644  -0.910  0.00  0.00    -0.023 C 
ATOM     20  C   LIG    1       -3.741  -3.078  -0.521  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.381  -3.782  -1.713  0.00  0.00    +0.081 C 
ATOM     22  N   LIG    1       -5.634  -3.140  -2.123  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1       -5.809  -3.354  -3.104  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -5.653  -1.691  -1.911  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -4.266  -1.061  -2.003  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -3.128  -0.723   0.327  0.00  0.00    +0.032 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.399  -2.818  -0.341  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.714  -1.688   0.201  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.031   1.699   2.147  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.562   2.798   1.250  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.702   3.765   0.705  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.201   4.782  -0.110  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.566   4.855  -0.379  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.434   3.916   0.175  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.937   2.898   0.990  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 4