REMARK  Name = BDB031085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.278  -1.591  -0.066  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        3.527  -0.427   0.480  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        2.305  -0.172  -0.036  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1        1.785  -0.951  -1.067  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.456  -2.049  -1.587  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        1.754  -2.657  -2.517  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        0.587  -1.945  -2.603  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        0.588  -0.852  -1.756  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        3.734  -2.350  -1.047  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.425   0.169  -1.570  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -1.659  -0.318  -1.310  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -2.659   0.563  -1.129  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.468   1.934  -1.237  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.194   2.421  -1.519  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.149   1.523  -1.688  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -3.908  -0.007  -0.863  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.680  -1.006  -0.912  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.431   0.300   0.483  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -5.367  -0.810   0.972  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1       -4.670  -1.731   1.686  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1       -6.398  -0.106   1.851  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1       -6.169   1.340   1.718  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -7.052   1.846   1.653  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -5.377   1.503   0.494  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   2  25
ATOM     25  C   LIG    1        4.119   0.342   1.593  0.00  0.00    +0.021 C 
ATOM     26  C   LIG    1        3.900   1.834   1.696  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        5.247   1.306   1.314  0.00  0.00    +0.009 C 
ENDBRANCH   2  25
BRANCH   1  28
ATOM     28  C   LIG    1        5.632  -1.908   0.535  0.00  0.00    +0.191 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.282  -2.991  -0.122  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        6.530  -2.674  -1.007  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 6