REMARK  Name = BDB013070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.416  -0.299   0.251  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.230   0.941  -0.011  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.585   1.006   0.203  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.938   2.290  -0.093  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.881   2.964  -0.487  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.349  -0.081   0.648  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.748  -1.214   0.897  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.199   2.112  -0.436  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.383  -1.291   0.704  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.607  -0.845  -0.165  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1       -4.144   0.290   0.414  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1       -2.797   0.423   0.518  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -1.869  -0.532   0.100  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.386  -1.693  -0.487  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.766  -1.858  -0.615  0.00  0.00    +0.033 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.503  -2.212  -0.195  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1       -6.090  -1.051  -0.257  0.00  0.00    +0.265 C 
ATOM     18  N   LIG    1       -6.965   0.030  -0.424  0.00  0.00    -0.292 N 
ATOM     19  C   LIG    1       -8.373  -0.188  -0.086  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -9.306   0.748  -0.856  0.00  0.00    +0.179 C 
ATOM     21  O   LIG    1       -8.911   2.117  -0.692  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -7.589   2.310  -1.209  0.00  0.00    +0.179 C 
ATOM     23  C   LIG    1       -6.559   1.439  -0.479  0.00  0.00    +0.136 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1        3.707   0.074   0.811  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.181   0.846   0.356  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.568  -1.049   1.127  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.992  -0.568   1.200  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1        6.847  -0.612   0.102  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.637  -1.173  -1.254  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        7.869  -0.601  -1.956  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        8.872  -0.281  -0.965  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        8.152  -0.148   0.194  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        8.665   0.381   1.360  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1        7.821   0.458   2.467  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        6.497  -0.006   2.387  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5