REMARK  Name = BDB065247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.796  -0.636  -0.317  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.795  -0.566   0.664  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.549  -0.035   0.326  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.283   0.427  -0.988  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.281   0.331  -1.965  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -4.093   0.722  -3.227  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -2.881   1.212  -3.531  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -1.854   1.364  -2.682  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1       -2.058   0.982  -1.413  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -5.519  -0.192  -1.615  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -8.036  -1.258  -0.883  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -7.000  -1.159   0.084  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -5.132  -1.027   1.910  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -4.103  -1.116   2.885  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1       -2.665   1.627  -4.892  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -2.487   1.967  -5.991  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -1.013   1.139  -0.474  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.375   1.723   0.278  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.279   1.643  -0.984  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        1.130   2.126   0.207  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        2.053   1.036   0.735  0.00  0.00    +0.113 C 
ATOM     22  N   LIG    1        2.950   0.543  -0.304  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1        4.165  -0.060  -0.023  0.00  0.00    +0.403 C 
ATOM     24  O   LIG    1        4.940  -0.454  -0.884  0.00  0.00    -0.226 OA
ATOM     25  C   LIG    1        2.509   0.650  -1.688  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1        0.994   0.546  -1.795  0.00  0.00    +0.041 C 
BRANCH  23  27
ATOM     27  O   LIG    1        4.382  -0.163   1.314  0.00  0.00    -0.445 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.594  -0.770   1.830  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        6.837   0.025   1.417  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        5.447  -0.689   3.358  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        5.695  -2.245   1.428  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 7