REMARK  Name = BDB031560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.361   2.456   1.028  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -1.253   1.515   0.697  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.462   0.147   1.323  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.283   2.475   1.454  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -1.364   3.546   1.160  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -3.224   2.707  -0.132  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -8.133  -3.297  -2.069  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -7.134  -2.205  -1.861  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -6.119  -2.013  -2.947  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -6.111  -2.711  -3.955  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.194  -1.016  -2.767  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -4.516  -0.902  -3.508  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -5.167  -0.192  -1.635  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.111  -0.368  -0.625  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -6.158   0.381   0.496  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -5.213   1.344   0.611  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -4.229   1.604  -0.345  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -4.213   0.808  -1.496  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.114  -1.417  -0.772  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1        1.005   2.735   0.845  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.966   1.765   0.917  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        2.073   0.799   1.908  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        3.049  -0.139   1.945  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        3.970  -0.105   0.951  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.956   0.835  -0.074  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.936   1.785  -0.082  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.041  -1.148   1.003  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        6.334  -0.692   0.772  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        6.477   0.311   0.801  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        4.778  -2.322   1.238  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        7.497  -1.602   0.896  0.00  0.00    +0.079 C 
ATOM     32  C   LIG    1        8.834  -0.964   0.462  0.00  0.00    +0.059 C 
ATOM     33  C   LIG    1        8.613  -1.568  -0.941  0.00  0.00    +0.170 C 
ATOM     34  F   LIG    1        9.711  -2.073  -1.545  0.00  0.00    -0.245 F 
ATOM     35  C   LIG    1        7.669  -2.592  -0.278  0.00  0.00    +0.059 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6