REMARK  Name = BDB040860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.880   0.379   0.339  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        2.031   0.412   1.273  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.929  -0.849   1.255  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        3.400  -1.154  -0.117  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        2.296  -1.197  -1.101  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.391   0.059  -1.017  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.652  -0.644  -0.485  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.948   0.096  -1.648  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.958   0.419  -2.497  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        6.168   0.562  -2.002  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        7.193   0.274  -1.174  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        7.042  -0.464  -0.009  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        5.766  -0.924   0.324  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.539   0.787  -1.586  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        8.869   0.924  -2.757  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1        9.413   1.133  -0.582  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        9.083   1.355   0.347  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       10.245   1.617  -0.898  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.170  -0.544   0.806  0.00  0.00    +0.092 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -8.061   0.294   0.088  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -6.695  -0.351  -0.106  0.00  0.00    +0.156 C 
ATOM     22  N   LIG    1       -5.638   0.624  -0.440  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1       -4.268   0.068  -0.606  0.00  0.00    +0.127 C 
ATOM     24  C   LIG    1       -3.402   1.186  -0.062  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.266   2.303   0.194  0.00  0.00    +0.142 C 
ATOM     26  F   LIG    1       -3.850   3.479   0.681  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -2.108   1.010   0.225  0.00  0.00    -0.014 C 
ATOM     28  C   LIG    1       -1.532  -0.382   0.078  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -2.547  -1.412   0.647  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -4.002  -1.274   0.123  0.00  0.00    +0.098 C 
ATOM     31  N   LIG    1       -4.955  -1.547   1.203  0.00  0.00    -0.309 N 
ATOM     32  H   LIG    1       -4.736  -2.207   1.938  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -5.537   1.931   0.024  0.00  0.00    +0.110 C 
ATOM     34  C   LIG    1       -6.289  -1.212   1.115  0.00  0.00    +0.234 C 
ATOM     35  O   LIG    1       -7.081  -1.651   1.946  0.00  0.00    -0.274 OA
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 4