REMARK  Name = BDB061189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.246  -0.157  -0.938  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1        1.681   0.005   0.368  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.310   0.007   0.468  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.035   0.246   1.782  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.153   0.314   2.467  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.542  -0.173  -0.623  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.039  -0.307  -1.819  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.192   0.150   1.577  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.337  -0.302  -1.934  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.197  -1.262  -2.013  0.00  0.00    +0.137 C 
ATOM     11  N   LIG    1        3.634  -0.198  -1.170  0.00  0.00    -0.283 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.546   0.723  -0.707  0.00  0.00    +0.147 A 
ATOM     13  N   LIG    1        5.875   0.627  -0.870  0.00  0.00    -0.156 NA
ATOM     14  N   LIG    1        6.377   1.721  -0.277  0.00  0.00    -0.273 N 
ATOM     15  C   LIG    1        7.806   1.906  -0.230  0.00  0.00    +0.172 C 
ATOM     16  C   LIG    1        5.428   2.561   0.211  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        4.228   1.946  -0.054  0.00  0.00    +0.065 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.912  -0.187  -0.464  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.317  -0.114  -1.399  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.538  -1.335   0.193  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.033  -1.198   0.148  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.715  -0.167   0.789  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.200   0.994   1.555  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.508   1.486   2.175  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.615   1.014   1.375  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.099  -0.066   0.709  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.866  -0.970   0.002  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.207  -2.020  -0.636  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.812  -2.126  -0.557  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.215  -3.147  -1.189  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5