REMARK  Name = BDB063100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -0.105  -0.047  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.153   0.593   1.065  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -2.438   0.807   1.390  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1       -3.522   0.350   0.650  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1       -4.822   0.585   1.008  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1       -5.091   1.289   2.132  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -4.054   1.781   2.915  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.119  -0.358  -0.474  0.00  0.00    +0.247 A 
ATOM      9  C   LIG    1       -2.734   1.531   2.532  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1       -1.838  -0.597  -0.841  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -6.516   1.485   2.432  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -7.017   1.873   3.664  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -8.326   2.063   3.949  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -9.177   1.842   2.938  0.00  0.00    +0.221 A 
ATOM     15  N   LIG    1       -8.838   1.458   1.703  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1       -7.512   1.286   1.486  0.00  0.00    +0.124 A 
ENDBRANCH   6  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.423  -0.365  -0.447  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.386  -0.898  -1.307  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  N   LIG    1        3.754   0.183   0.456  0.00  0.00    -0.266 N 
ATOM     20  N   LIG    1        3.196   0.832   1.498  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        1.882   0.705   1.284  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        1.599  -0.023   0.112  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1        2.829  -0.349  -0.403  0.00  0.00    +0.132 A 
BRANCH  19  28
ATOM     24  C   LIG    1        9.194  -0.581  -0.838  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        7.851  -0.249  -0.369  0.00  0.00    -0.305 NA
ATOM     26  C   LIG    1        7.012   0.272  -1.444  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        5.740   0.891  -0.858  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1        5.206   0.105   0.352  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1        5.704  -1.341   0.341  0.00  0.00    +0.042 C 
ATOM     30  C   LIG    1        7.235  -1.390   0.322  0.00  0.00    +0.086 C 
ENDBRANCH  19  28
ENDBRANCH  17  22
ENDBRANCH   1  17
BRANCH   8  31
ATOM     31  O   LIG    1       -4.144  -0.848  -1.283  0.00  0.00    -0.469 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -3.750  -1.631  -2.430  0.00  0.00    +0.110 C 
ATOM     33  C   LIG    1       -4.590  -1.365  -3.660  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -3.162  -0.909  -3.618  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -3.394  -3.055  -2.127  0.00  0.00    +0.056 C 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 6