REMARK  Name = BDB021188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.512   0.084   0.354  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.918  -1.048  -0.279  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.537  -1.122  -0.259  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.183  -2.261  -0.947  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.373  -2.832  -1.333  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.277  -0.157   0.370  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.283   0.872   0.944  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.442  -2.083  -0.909  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.658   0.969   0.913  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.161   2.083   0.180  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.972   1.214   0.343  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        6.113  -0.047   0.756  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.855  -0.540   0.777  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.680  -1.898   1.242  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.905   0.384   0.398  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.619   1.535   0.116  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.550  -4.042  -2.077  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.651  -5.032  -2.676  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.644  -0.333   0.353  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.988  -1.279   0.239  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.512   0.483   1.185  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.939   0.261   0.777  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.492   0.857  -0.352  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.901   1.829  -1.304  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.967   1.783  -2.399  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.210   1.311  -1.829  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.816   0.634  -0.704  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.648  -0.183   0.034  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.111  -0.809   1.159  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.774  -0.588   1.516  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.289  -1.216   2.597  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5