REMARK  Name = BDB021709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.383  -0.619  -0.037  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.421   0.333  -0.060  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.679  -0.204   0.114  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.771  -1.177  -0.134  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.195   1.528  -0.234  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.780   0.417  -0.326  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.974   1.077   0.726  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.623   0.420   1.024  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.988  -0.104  -0.264  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.929  -1.095  -0.968  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.386  -0.982  -0.495  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.241   0.642  -0.127  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -6.095  -0.074  -1.190  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.558   2.166  -0.145  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.609   2.053   1.378  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.023   2.568   0.072  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.893   0.488   0.298  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        5.075  -0.258   0.211  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        6.320   0.351   0.397  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        6.404   1.717   0.685  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1        5.222   2.461   0.775  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.977   1.850   0.588  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1        7.743   2.383   0.867  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1        8.297   2.908  -0.449  0.00  0.00    +0.009 C 
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1        0.532  -1.883   0.699  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.205  -2.995  -0.080  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        1.851  -4.024   0.624  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.477  -5.069  -0.056  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.459  -5.105  -1.448  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.811  -4.099  -2.160  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.183  -3.053  -1.481  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8