REMARK  Name = BDB020530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.241  -1.488  -0.796  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.431  -0.724  -0.646  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.678  -1.351  -0.859  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.859  -0.615  -0.699  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        3.789   0.723  -0.330  0.00  0.00    +0.091 A 
ATOM      6  N   LIG    1        2.614   1.361  -0.116  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        2.725  -2.705  -1.227  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.554  -3.443  -1.388  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.481   0.634  -0.283  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.319  -2.838  -1.174  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.342  -1.446   0.195  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.297  -0.617   0.935  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.072  -0.500   0.169  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.012  -1.350   0.331  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.069  -0.906  -0.572  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.526   0.208  -1.235  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.072  -2.434   1.325  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -2.867  -1.992   2.465  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.658  -2.697   3.717  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.734   0.434  -0.766  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.032  -1.243   2.307  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -4.853  -1.100   3.216  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.619   1.626  -1.229  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.642   1.397  -2.310  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.409   2.199  -2.607  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.009   1.500  -0.156  0.00  0.00    +0.107 A 
ATOM     27  N   LIG    1        6.287   0.993  -0.310  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1        7.093   2.002  -0.070  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1        6.397   3.136   0.232  0.00  0.00    -0.339 N 
ATOM     30  C   LIG    1        6.974   4.418   0.542  0.00  0.00    +0.150 C 
ATOM     31  C   LIG    1        5.067   2.837   0.184  0.00  0.00    +0.116 A 
ENDBRANCH   5  26
TORSDOF 3