REMARK  Name = BDB017817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.204  -2.507  -0.709  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        1.369  -1.674  -1.161  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.322  -1.456  -2.542  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.267  -0.667  -3.169  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.282  -0.103  -2.388  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.350  -0.317  -0.993  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.131  -2.129  -3.148  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        2.370  -1.112  -0.378  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.241  -3.134  -2.046  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.430   0.301  -0.234  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.319   1.215  -0.798  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        6.127   1.523   0.180  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        7.308   2.386   0.372  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        7.867   1.848   1.715  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.682   1.167   2.428  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.800   0.868   1.323  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        4.734   0.078   1.105  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -1.873  -2.192   0.575  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1       -0.820  -1.663  -0.130  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -0.751  -0.668  -0.289  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.986  -3.395   0.799  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1       -5.734   0.631  -0.467  0.00  0.00    +0.215 C 
ATOM     23  N   LIG    1       -4.587   0.473   0.307  0.00  0.00    -0.301 N 
ATOM     24  C   LIG    1       -3.588  -0.511  -0.118  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -2.903  -1.189   1.070  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -2.301  -0.188   2.068  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -2.815   1.236   1.866  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.298   1.252   1.511  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1       -5.903   0.011  -1.516  0.00  0.00    -0.276 OA
BRANCH  22  31
ATOM     30  C   LIG    1       -8.047   1.603  -0.781  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -6.771   1.620   0.047  0.00  0.00    +0.092 C 
ENDBRANCH  22  31
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 4