REMARK  Name = BDB014064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.348  -1.486   0.336  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.012  -1.132   1.728  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        0.636   0.283   1.800  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        1.796   0.499   0.898  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.411   0.074  -0.470  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.816  -1.350  -0.567  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.059   1.322   2.116  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.441   0.898   0.772  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.629  -0.005   0.063  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.389  -0.342   0.556  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.609  -1.129  -0.114  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -2.008  -1.675  -1.298  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.440  -2.374  -1.742  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.246  -1.480  -1.820  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.627  -2.070  -2.827  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.095  -0.522  -1.093  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.430  -0.189  -1.688  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.050   1.054  -1.056  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.866   1.031   0.455  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        2.998  -0.208   1.405  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.283   0.044   0.625  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        4.601  -0.829  -0.358  0.00  0.00    -0.238 NA
ATOM     23  C   LIG    1        5.732  -0.574  -1.047  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        6.548   0.507  -0.804  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        6.145   1.327   0.224  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        5.029   1.120   0.950  0.00  0.00    -0.238 NA
BRANCH  24  27
ATOM     27  C   LIG    1        7.796   0.745  -1.568  0.00  0.00    +0.420 C 
ATOM     28  F   LIG    1        7.721   0.317  -2.858  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.143   2.060  -1.633  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.866   0.103  -1.025  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4