REMARK  Name = BDB063179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.604  -0.299   0.280  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.649   0.659  -0.058  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -0.514   0.239   0.590  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -1.710   0.993   0.495  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -1.702   2.151  -0.287  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.547   2.535  -0.972  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1       -0.318  -0.947   1.258  0.00  0.00    -0.234 NA
ATOM      8  C   LIG    1        0.642   1.797  -0.881  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.939  -1.250   1.032  0.00  0.00    +0.205 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.783  -0.410  -0.604  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        5.052  -1.583  -0.341  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        3.682  -1.549  -0.053  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.994  -0.331  -0.032  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        3.706   0.844  -0.278  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        5.078   0.802  -0.563  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.529  -1.368  -2.148  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        7.289  -0.487  -0.904  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        7.942   0.886  -1.184  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        8.025  -1.105   0.305  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   4  20
ATOM     20  N   LIG    1       -2.826   0.493   1.197  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -2.627  -0.377   1.688  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -4.088   1.046   1.292  0.00  0.00    +0.222 C 
ATOM     23  O   LIG    1       -4.447   2.111   0.794  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.041   0.199   2.128  0.00  0.00    +0.131 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.345  -0.083   1.417  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1       -7.433   0.792   1.556  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -8.630   0.547   0.879  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -8.739  -0.570   0.043  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1       -7.666  -1.456  -0.091  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -6.470  -1.208   0.586  0.00  0.00    +0.005 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -9.987  -0.855  -0.701  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1      -10.457  -1.973  -0.818  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1      -10.518   0.248  -1.270  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -9.937   1.032  -1.243  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  20
TORSDOF 7