REMARK  Name = BDB050589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.560   0.170  -1.060  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1       -1.750   1.053  -2.099  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1       -1.024   1.466  -2.665  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.079   1.328  -2.255  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -3.788   0.599  -1.307  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -5.193   0.739  -1.296  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -5.750   1.611  -2.244  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -4.916   2.275  -3.135  0.00  0.00    +0.114 A 
ATOM      9  N   LIG    1       -3.571   2.168  -3.183  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -2.816  -0.124  -0.555  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -0.480   0.690   1.676  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        0.291  -0.064   0.624  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -0.234  -0.296  -0.662  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.537  -1.000  -1.598  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        1.805  -1.475  -1.262  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.329  -1.263   0.013  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        1.570  -0.562   0.949  0.00  0.00    +0.049 A 
BRANCH  16  18
ATOM     18  O   LIG    1        3.578  -1.782   0.200  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.205  -1.647   1.478  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.905  -0.283   1.656  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        6.232  -0.189   1.015  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        6.149  -0.355  -0.455  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        7.353   0.277  -1.171  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        7.422   1.699  -0.992  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        6.838   2.137   0.242  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        6.916   1.079   1.354  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  13
BRANCH   6  27
ATOM     27  C   LIG    1       -6.013   0.004  -0.331  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -6.808   0.689   0.604  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -7.596  -0.007   1.526  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -7.606  -1.405   1.526  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -6.824  -2.100   0.600  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1       -6.037  -1.400  -0.320  0.00  0.00    +0.010 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -8.413  -2.120   2.470  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -9.067  -2.698   3.236  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH   6  27
TORSDOF 7