REMARK  Name = BDB006932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.100  -0.238  -0.162  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.139  -0.874  -0.944  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.255  -0.709  -0.829  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.915  -1.517  -1.746  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -3.290  -1.491  -1.781  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1       -4.021  -0.707  -0.962  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1       -3.360   0.085  -0.072  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.961  -2.341  -2.564  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.118  -3.834  -2.253  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -1.129  -2.087  -4.065  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -1.969   0.106   0.029  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        0.404  -1.809  -2.055  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.822   0.526   0.763  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -4.199   0.945   0.859  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -4.809   0.072   1.972  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.018   0.747   2.607  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -7.141   0.974   1.594  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -6.646   1.137   0.156  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -5.259   1.770   0.097  0.00  0.00    +0.010 C 
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1        2.561  -0.593  -0.523  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.720   0.008   1.595  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1        3.608   0.219   0.126  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1        3.542   1.646  -0.225  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.765   2.433   0.332  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        4.515   3.938   0.248  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1        5.164   2.092   1.716  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1        5.961   1.449   1.647  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        4.102   1.306   2.370  0.00  0.00    +0.102 C 
BRANCH  21  29
ATOM     29  C   LIG    1        4.731  -1.130   1.904  0.00  0.00    +0.179 C 
BRANCH  29  31
ATOM     30  C   LIG    1        6.574  -1.099   0.395  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1        6.103  -0.774   1.696  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5