REMARK  Name = BDB021339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.978  -3.278   0.850  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.043  -2.448   0.611  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.520  -1.296   0.227  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.138  -1.369   0.196  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.683  -0.291  -0.188  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.128   0.842  -0.514  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.248   0.930  -0.481  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.122  -0.048  -0.144  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.213  -2.636   0.607  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.548   0.164  -0.150  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.240   1.236  -0.681  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        5.566   0.992  -0.448  0.00  0.00    -0.269 N 
ATOM     13  N   LIG    1        5.789  -0.162   0.199  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        4.564  -0.669   0.375  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.681   1.835  -0.823  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.547   1.201  -1.902  0.00  0.00    +0.179 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.505   2.141  -2.387  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1        8.051   2.738  -3.007  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        1.259  -5.723   1.665  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        1.157  -4.625   1.300  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -2.050  -0.469  -0.199  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.392  -1.417  -0.307  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.926   0.516  -0.810  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.349   0.202  -0.452  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.887   0.505   0.795  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.283   1.214   1.949  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.338   0.904   3.011  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.588   0.587   2.357  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.209   0.204   1.097  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.051  -0.407   0.191  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.529  -0.740  -1.059  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.195  -0.439  -1.366  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.724  -0.784  -2.574  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 8