REMARK  Name = BDB015848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486   2.100   0.165  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.461   1.233   0.042  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.791   1.725  -0.073  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.040   3.095  -0.028  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.082   3.897   0.084  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.346   3.435   0.181  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.357  -0.407   0.390  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.070   0.146   0.281  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.848   1.540   0.283  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.977   2.370   0.402  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.263   1.837   0.513  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.452   0.456   0.508  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.260  -4.954  -0.232  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.388  -3.853   0.098  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.173  -4.104   0.615  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.653  -2.886   0.791  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.529  -1.850   0.388  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.649  -2.522  -0.059  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.364   3.705  -0.081  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -2.562   4.886  -0.692  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -3.874   5.136  -0.534  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.435   6.347  -1.083  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.531   4.172   0.164  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.582   3.231   0.481  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.853   0.805  -0.226  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.406   1.095  -1.032  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.454  -0.599  -0.317  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.700  -1.499  -0.416  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -3.555  -1.386   0.862  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -4.553  -2.456   0.931  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -5.121  -2.429   0.085  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -3.925  -3.777   1.043  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -2.486  -3.848   0.522  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -2.298  -2.962  -0.704  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6