REMARK  Name = BDB017307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.687  -0.130  -0.005  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -1.839  -1.044  -0.184  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -2.672  -0.694  -1.346  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -2.742   0.819  -1.672  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -2.469   1.670  -0.492  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -1.080   1.381  -0.053  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.602   3.095  -0.869  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -4.107   3.480  -0.943  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -4.051   3.850   0.550  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.529   4.009   0.387  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1        0.444  -0.378  -1.024  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1        0.231  -0.726  -2.188  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        6.301   0.983   1.606  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        5.945   0.336   0.422  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.592   0.164   0.073  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.581   0.652   0.931  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.228   0.481   0.583  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.868  -0.170  -0.603  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.877  -0.645  -1.450  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.952   1.301   2.117  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.223  -0.481  -1.115  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        5.299   1.463   2.448  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        8.638   0.739   1.231  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        7.575   1.208   2.051  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -1.483  -2.466  -0.140  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.674  -3.373   0.096  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.471  -3.221   1.241  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.559  -4.066   1.465  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.861  -5.072   0.550  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.077  -5.234  -0.591  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.988  -4.390  -0.818  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6