REMARK  Name = BDB054409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.387  -1.318   1.042  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -3.250  -0.757   0.401  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -2.066  -0.611   1.168  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -0.910  -0.071   0.581  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.918   0.358  -0.748  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -2.068   0.223  -1.515  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.053  -0.998   2.519  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.192  -1.514   3.134  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.223  -0.317  -0.945  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.360  -1.672   2.398  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -6.739  -2.871  -1.455  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -5.562  -2.408  -0.767  0.00  0.00    -0.314 N 
ATOM     13  H   LIG    1       -4.686  -2.889  -0.929  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -5.662  -1.580   0.331  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.713  -1.126   0.763  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  O   LIG    1        0.191   0.873  -1.381  0.00  0.00    -0.455 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.954   1.778  -0.669  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1        2.328   1.522  -0.492  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.068   2.487   0.213  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1        4.423   2.268   0.422  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1        5.069   1.119  -0.049  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1        4.335   0.153  -0.757  0.00  0.00    +0.162 A 
ATOM     23  N   LIG    1        2.515   3.615   0.694  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        1.199   3.831   0.479  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1        2.972   0.359  -0.973  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        0.381   2.955  -0.198  0.00  0.00    +0.066 A 
BRANCH  22  27
ATOM     27  O   LIG    1        5.034  -0.946  -1.186  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.332  -1.925  -1.939  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  21  29
ATOM     29  O   LIG    1        6.404   0.852   0.130  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        7.184   1.817   0.822  0.00  0.00    +0.277 C 
ENDBRANCH  21  29
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 5