REMARK  Name = BDB014854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.003  -4.895  -1.276  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.886  -3.768  -0.801  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.261  -2.579  -0.443  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.799  -2.488  -0.241  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.351  -1.070  -0.240  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.051  -0.496  -0.192  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.134   0.839  -0.203  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.446   1.117  -0.269  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.218   0.002  -0.269  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.695  -0.102  -0.312  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.098  -1.516   0.153  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.107  -3.921  -0.755  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.071  -1.255  -0.134  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.044  -2.260  -0.132  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.440  -0.904  -0.076  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.394  -1.931   0.013  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.766  -1.652   0.080  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.226  -0.332   0.063  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.283   0.696  -0.027  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.911   0.410  -0.095  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.650  -0.051   0.131  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.214   1.097   0.652  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.566   0.949   0.536  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.580   1.889   0.947  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.932  -0.219  -0.020  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.767  -0.824  -0.265  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.869   2.508  -0.302  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.843   3.132   1.076  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -1.467   3.479   1.660  0.00  0.00    +0.167 C 
ATOM     30  O   LIG    1       -1.902   4.834   1.945  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -3.075   4.645   1.119  0.00  0.00    +0.167 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5