REMARK  Name = BDB007955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.710  -2.475  -0.052  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.470  -1.910  -0.350  0.00  0.00    +0.231 C 
ATOM      3  O   LIG    1        0.103  -1.211   0.493  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.610  -3.023  -1.065  0.00  0.00    +0.197 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -3.934  -1.076  -2.320  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.339  -1.956  -1.760  0.00  0.00    -0.086 C 
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   2   7
ATOM      7  C   LIG    1        0.115  -2.185  -1.754  0.00  0.00    +0.180 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.427  -1.564  -2.013  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        2.507  -2.082  -1.182  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.861  -1.613  -1.722  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        3.885  -0.114  -2.044  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        2.617   0.611  -1.589  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        1.365  -0.101  -2.111  0.00  0.00    +0.085 C 
BRANCH  11  14
ATOM     14  C   LIG    1        5.187   0.551  -1.605  0.00  0.00    +0.166 C 
ATOM     15  O   LIG    1        6.120   0.675  -2.402  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.388   1.060  -0.217  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        4.807   0.461   0.907  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        5.048   0.982   2.182  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        5.877   2.088   2.330  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        6.107   2.580   3.554  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        6.476   2.684   1.228  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        6.235   2.167  -0.046  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   7   8
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  C   LIG    1       -2.278  -2.225   1.277  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.992  -0.881   1.330  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -2.187   0.223   1.241  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -1.184   0.109   1.117  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -2.683   1.492   1.218  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -1.972   2.482   1.097  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -4.147   1.585   1.351  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -4.772   2.941   1.342  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -6.198   2.880   1.175  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -6.792   1.901   2.031  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -6.338   0.502   1.619  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -4.840   0.440   1.462  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -4.281  -0.816   1.450  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8