REMARK  Name = BDB011531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.340  -1.319   0.159  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        1.247  -0.270   0.052  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.490   0.889   0.417  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.008  -0.649  -0.430  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.443  -2.007  -0.742  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.172  -3.206  -0.314  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -0.341  -4.460  -0.715  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.473  -4.574  -1.508  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.115  -3.422  -1.912  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        1.248  -3.414   0.504  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -1.610  -2.172  -1.533  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        1.826  -2.312   1.173  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.516  -0.256  -0.319  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.575  -0.661   0.610  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        3.450  -0.045   1.404  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        4.488  -0.646  -1.487  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.667   0.631   0.236  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.194   1.768   1.141  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.936   2.186  -1.663  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.528   1.108  -0.878  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.656   0.307  -1.506  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.932   0.480  -0.665  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.077   0.560   0.332  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -3.226   1.455   0.039  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -4.324   1.506   0.930  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1       -5.418   2.343   0.636  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -5.430   3.131  -0.514  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.346   3.088  -1.372  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -4.347   3.848  -2.475  0.00  0.00    -0.205 F 
ATOM     30  N   LIG    1       -4.303   0.718   2.121  0.00  0.00    -0.311 N 
ATOM     31  C   LIG    1       -5.421   0.765   3.052  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1       -3.224  -0.085   2.446  0.00  0.00    +0.252 A 
ATOM     33  O   LIG    1       -3.135  -0.761   3.469  0.00  0.00    -0.268 OA
ATOM     34  C   LIG    1       -3.254   2.269  -1.108  0.00  0.00    +0.048 A 
ATOM     35  C   LIG    1       -2.107  -0.132   1.482  0.00  0.00    +0.076 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5