REMARK  Name = BDB058654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   1.770   0.094  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.647   1.213   0.126  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.758   2.069   0.055  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.624   3.447  -0.041  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.324   3.990  -0.073  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.196   5.382  -0.172  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -1.332   6.179  -0.235  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.563   5.553  -0.198  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1       -2.727   4.216  -0.103  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        0.804   3.152  -0.007  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -0.785  -0.198   0.201  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -1.586  -0.673   1.343  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.868  -1.369   0.892  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -2.570  -2.560  -0.038  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -1.381  -2.266  -0.974  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -1.123  -0.768  -1.119  0.00  0.00    +0.105 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.825  -2.965  -0.821  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -4.187  -1.946  -1.741  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1       -5.006  -2.233  -2.181  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   1  22
ATOM     20  O   LIG    1        3.592   2.218   0.012  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        3.075   1.114   0.149  0.00  0.00    +0.253 C 
ATOM     22  N   LIG    1        1.724   0.860   0.182  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        1.422  -0.112   0.288  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1        3.914  -0.066   0.288  0.00  0.00    +0.101 A 
ATOM     25  C   LIG    1        3.548  -1.385   0.480  0.00  0.00    +0.168 A 
ATOM     26  N   LIG    1        4.741  -2.116   0.556  0.00  0.00    -0.221 N 
ATOM     27  C   LIG    1        4.716  -3.492   0.757  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1        3.549  -4.138   0.882  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        2.339  -3.277   0.788  0.00  0.00    +0.114 A 
ATOM     30  N   LIG    1        5.829  -1.325   0.415  0.00  0.00    -0.173 NA
ATOM     31  N   LIG    1        2.322  -1.991   0.598  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        5.325  -0.101   0.258  0.00  0.00    +0.150 A 
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5