REMARK  Name = BDB064196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.812  -0.804   0.202  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.406  -0.864   0.194  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.250   0.362   0.075  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.644   0.380   0.074  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.444  -0.773   0.175  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.762  -1.988   0.275  0.00  0.00    +0.024 A 
ATOM      7  N   LIG    1       -0.404   1.522  -0.042  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -1.748   1.480  -0.052  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.366  -2.044   0.283  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -2.469   0.361   0.081  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        3.827  -0.708   0.172  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        4.662  -1.876  -0.157  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        6.021  -1.430  -0.745  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        6.826  -0.587   0.165  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        7.779   0.219  -0.593  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        5.965   0.247   1.029  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1        4.546   0.540   0.485  0.00  0.00    +0.120 C 
ENDBRANCH   5  11
BRANCH   8  18
ATOM     18  C   LIG    1       -2.479   2.755  -0.205  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -1.807   3.993  -0.246  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -2.500   5.202  -0.390  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.884   5.186  -0.495  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1       -4.582   3.988  -0.460  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.884   2.784  -0.317  0.00  0.00    +0.015 A 
BRANCH  21  24
ATOM     24  O   LIG    1       -4.600   6.337  -0.636  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -3.980   7.085  -0.652  0.00  0.00    +0.292 HD
ENDBRANCH  21  24
ENDBRANCH   8  18
BRANCH   1  26
ATOM     26  N   LIG    1       -2.554  -2.003   0.367  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1       -2.207  -2.502   1.176  0.00  0.00    +0.155 HD
BRANCH  26  33
ATOM     28  C   LIG    1       -7.109  -3.930   0.235  0.00  0.00    +0.065 C 
ATOM     29  C   LIG    1       -5.859  -3.170   0.028  0.00  0.00    +0.035 A 
ATOM     30  N   LIG    1       -5.736  -2.206  -0.931  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1       -6.433  -1.887  -1.596  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1       -4.524  -1.642  -0.976  0.00  0.00    -0.158 NA
ATOM     33  C   LIG    1       -3.841  -2.224   0.012  0.00  0.00    +0.146 A 
ATOM     34  C   LIG    1       -4.633  -3.209   0.655  0.00  0.00    +0.068 A 
ENDBRANCH  26  33
ENDBRANCH   1  26
TORSDOF 5