REMARK  Name = BDB021037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.078   5.770   1.125  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.799   4.409   0.735  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.133   3.702   1.372  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.577   4.107   0.185  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.400   2.762  -0.114  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.098   2.417  -0.684  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.901   0.944  -0.727  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.904   0.044  -0.459  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.391  -1.226  -0.549  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.120  -1.176  -0.897  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.246   0.440  -0.089  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.802   0.156  -1.006  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.515   1.885  -0.491  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -2.715   4.957  -0.012  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.530   0.625  -1.346  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.669   0.235  -0.587  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.939   0.726  -0.953  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.067   0.359  -0.205  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.928  -0.485   0.895  0.00  0.00    +0.045 A 
ATOM     20  N   LIG    1        2.726  -0.968   1.272  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        3.062   1.580  -2.061  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.945   1.948  -2.808  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.644  -0.609   0.535  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        0.686   1.471  -2.454  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.112  -0.915   1.738  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1        6.171  -1.700   0.943  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        7.425  -0.870   0.713  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        8.023  -0.411   1.924  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.118  -0.112   2.987  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        5.730   0.268   2.498  0.00  0.00    +0.038 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -3.176  -2.478  -0.291  0.00  0.00    +0.059 C 
ATOM     32  C   LIG    1       -2.337  -3.520   0.452  0.00  0.00    +0.039 C 
ATOM     33  C   LIG    1       -3.162  -4.776   0.725  0.00  0.00    +0.160 C 
ATOM     34  O   LIG    1       -4.245  -4.946  -0.195  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -3.884  -4.578  -1.522  0.00  0.00    +0.160 C 
ATOM     36  C   LIG    1       -3.708  -3.066  -1.607  0.00  0.00    +0.039 C 
ENDBRANCH   9  31
TORSDOF 3