REMARK  Name = BDB021302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.959  -0.156  -0.075  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.960  -0.977  -0.679  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.353  -0.565  -0.541  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.131  -1.447  -1.254  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.253  -2.382  -1.749  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.720   0.581   0.186  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.201   1.335   0.720  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.037  -2.095  -1.379  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.517   0.947   0.569  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.349  -2.817   0.570  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        3.957  -1.583   0.125  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.368  -0.364  -0.147  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        4.418   0.481  -0.464  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        5.572  -0.309  -0.358  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        5.303  -1.562   0.001  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        7.008   0.200  -0.641  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1        8.103  -0.105   0.348  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        7.585   1.297   0.216  0.00  0.00    +0.010 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1       -0.570  -3.523  -2.554  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -0.872  -4.442  -3.197  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -2.044   0.938   0.323  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.055   1.890   0.693  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.915   0.129   1.175  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.266   0.774   1.291  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.096   0.993   0.195  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.867   0.739  -1.249  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.290   0.944  -1.769  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.021   1.764  -0.831  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.336   1.603   0.345  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.810   2.020   1.573  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.004   1.797   2.688  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.754   1.181   2.541  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.008   0.987   3.638  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6