REMARK  Name = BDB065092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.025   0.433  -1.751  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.966  -0.591  -1.569  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.555  -1.818  -1.035  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.239  -2.052  -0.659  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.702  -1.027  -0.810  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        2.013  -1.332  -0.388  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        2.345  -2.542   0.089  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1        1.359  -3.446   0.173  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1        0.075  -3.253  -0.169  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        0.299   0.212  -1.369  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.549   2.615  -2.606  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.494   1.601  -2.295  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        1.709  -4.742   0.692  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1        1.996  -5.788   1.116  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        3.016  -0.341  -0.486  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        2.698   0.481   0.021  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.351  -0.760  -0.052  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.367   0.374  -0.291  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        5.048   1.606   0.579  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        6.298   2.439   0.851  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1        7.353   1.696   1.551  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1        7.410   2.024   2.973  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        7.296   0.243   1.352  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        6.807  -0.119  -0.049  0.00  0.00    +0.020 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  25
ATOM     25  O   LIG    1       -3.250  -0.306  -1.959  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.267  -1.268  -1.678  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.618  -0.682  -2.085  0.00  0.00    +0.056 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.039   0.514  -1.221  0.00  0.00    +0.087 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.252   0.161   0.187  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1       -7.436  -0.671   0.413  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1       -7.681  -0.537   1.910  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -6.998   0.764   2.315  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -6.466   1.349   1.017  0.00  0.00    +0.084 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 10