REMARK  Name = BDB020579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.653  -0.108   1.384  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.898  -0.158   0.697  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        3.086   0.118   1.411  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        4.321   0.080   0.747  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        4.348  -0.223  -0.610  0.00  0.00    +0.110 A 
ATOM      6  N   LIG    1        3.238  -0.481  -1.330  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        3.020   0.430   2.778  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.797   0.467   3.446  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.055  -0.451  -0.668  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.620   0.197   2.753  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.970  -0.232   0.563  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.926   0.272  -0.427  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.608  -0.244  -0.111  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.691   0.453   0.627  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.598  -0.384   0.702  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -0.833  -1.547   0.010  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.008   1.800   1.130  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -2.890   2.471   0.185  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.946   3.920   0.267  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.049  -1.433  -0.479  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -3.935   1.802  -0.451  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -4.863   2.401  -1.000  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.723  -2.533  -1.346  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -1.871  -3.318  -2.310  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.856  -2.313  -2.831  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.624  -0.280  -1.357  0.00  0.00    +0.201 A 
ATOM     27  N   LIG    1        6.781  -0.548  -0.730  0.00  0.00    -0.270 N 
ATOM     28  H   LIG    1        6.954  -0.814   0.222  0.00  0.00    +0.174 HD
ATOM     29  C   LIG    1        7.734  -0.573  -1.674  0.00  0.00    +0.440 A 
ATOM     30  O   LIG    1        8.912  -0.831  -1.482  0.00  0.00    -0.221 OA
ATOM     31  O   LIG    1        7.164  -0.270  -2.881  0.00  0.00    -0.295 OA
ATOM     32  N   LIG    1        5.766  -0.097  -2.630  0.00  0.00    -0.053 NA
ENDBRANCH   5  26
TORSDOF 3