REMARK  Name = BDB063810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.444   1.170   0.438  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        0.513   0.228   0.685  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.681   0.348   0.097  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.991   1.401  -0.760  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.284   1.470  -1.320  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.239   0.489  -1.036  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.951  -0.586  -0.192  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        0.042   2.327  -0.985  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -1.656  -0.614   0.356  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        1.235   2.217  -0.383  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -3.888  -1.565   0.094  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -3.494  -2.890   0.604  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -4.541  -3.968   0.234  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1       -5.928  -3.692   0.662  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -6.274  -4.416   1.882  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -6.160  -2.243   0.835  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -5.330  -1.350  -0.117  0.00  0.00    +0.120 C 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  C   LIG    1        2.807   1.050   1.127  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        3.256   2.214   2.011  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        2.826   0.933   2.650  0.00  0.00    +0.020 C 
BRANCH  18  24
ATOM     21  C   LIG    1        5.840  -1.122  -1.140  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        4.982  -1.803  -0.279  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.012  -1.100   0.447  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.874   0.294   0.339  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1        4.742   0.957  -0.543  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.712   0.260  -1.269  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.993  -3.090  -1.807  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        6.826  -1.681  -1.905  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  24
ENDBRANCH   1  18
BRANCH   8  29
ATOM     29  N   LIG    1       -0.186   3.418  -1.858  0.00  0.00    -0.327 N 
ATOM     30  H   LIG    1       -0.480   3.031  -2.752  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1        0.949   4.338  -2.037  0.00  0.00    +0.118 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.082   5.328  -0.860  0.00  0.00    +0.096 C 
BRANCH  32  33
ATOM     33  N   LIG    1       -0.199   5.968  -0.516  0.00  0.00    -0.329 NA
ATOM     34  H   LIG    1       -0.850   5.197  -0.333  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1       -0.576   6.413  -1.351  0.00  0.00    +0.118 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH   8  29
TORSDOF 8