REMARK  Name = BDB041105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.809   0.544   2.483  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.364   0.449   1.163  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -2.208   0.523   0.116  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.516   0.696   0.382  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -4.038   0.824   1.614  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -3.166   0.740   2.638  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.426   0.821  -0.770  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.629   0.080  -0.914  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -6.455   0.332  -2.031  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.097   1.260  -3.008  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.906   1.961  -2.892  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.084   1.743  -1.786  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.054  -0.984   0.097  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -6.427  -2.317  -0.565  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -7.205  -0.476   0.969  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.370   0.421   4.814  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.877   0.470   3.481  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.002   0.185   0.929  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        0.559   0.722   1.589  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.432   0.362  -0.448  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.931   0.177  -0.520  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.496  -1.093  -0.357  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.884  -1.272  -0.414  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.754  -0.187  -0.626  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.168   1.081  -0.791  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.781   1.266  -0.734  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.223  -0.352  -0.684  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        6.885   0.529  -1.476  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.230   0.419  -1.566  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        8.984  -0.527  -0.885  0.00  0.00    -0.032 A 
ATOM     31  C   LIG    1       10.466  -0.610  -1.060  0.00  0.00    +0.045 C 
ATOM     32  C   LIG    1        8.294  -1.427  -0.079  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        6.906  -1.337   0.030  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7