REMARK  Name = BDB060939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121  -0.114   0.230  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.898   0.960   0.638  0.00  0.00    +0.126 A 
ATOM      3  N   LIG    1       -2.172   0.678   0.167  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -2.107  -0.577  -0.430  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -3.310  -1.112  -0.974  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -4.466  -0.407  -0.936  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -4.472   0.929  -0.324  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.343   1.433   0.202  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.886  -1.065  -0.408  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.680  -0.931  -1.483  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.311  -2.097  -1.113  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -6.039  -3.160  -0.126  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.441  -2.244  -1.856  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.571  -1.176  -2.724  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.507  -0.393  -2.503  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -6.325   0.847  -3.296  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  N   LIG    1       -0.561   2.112   1.296  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.440   2.315   1.309  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.117   2.335   2.642  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -0.272   1.610   3.689  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -1.129   3.839   2.910  0.00  0.00    +0.027 C 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   1  22
ATOM     22  C   LIG    1        1.337  -0.344   0.424  0.00  0.00    +0.063 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.163   0.235  -0.726  0.00  0.00    +0.041 C 
BRANCH  23  27
ATOM     24  C   LIG    1        6.378  -0.485  -0.084  0.00  0.00    +0.161 A 
ATOM     25  C   LIG    1        5.588  -1.453  -0.734  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        4.225  -1.208  -0.942  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        3.640  -0.003  -0.523  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        4.433   0.954   0.115  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.793   0.716   0.332  0.00  0.00    +0.049 A 
BRANCH  24  31
ATOM     30  C   LIG    1        8.491   0.075   0.880  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.704  -0.800   0.085  0.00  0.00    -0.491 OA
ENDBRANCH  24  31
BRANCH  25  32
ATOM     32  O   LIG    1        6.232  -2.608  -1.106  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.514  -3.523  -1.922  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8