REMARK  Name = BDB025476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.184   0.624  -0.192  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        1.823   0.025  -0.253  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1        0.827   1.061  -0.636  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.108   2.296  -1.173  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.139   2.897  -1.367  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -1.141   2.107  -0.997  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        2.505   2.729  -1.413  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.545   0.954  -0.568  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.317  -0.151  -0.154  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.746  -1.191   0.161  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.451   1.500  -1.362  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.824   0.071  -0.181  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.571  -0.763   0.858  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.776  -1.412   0.520  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.423  -2.202   1.484  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.940  -2.280   2.789  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -3.793  -1.581   3.131  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.333  -1.640   4.387  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -5.282  -1.398  -0.788  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -6.289  -1.538  -0.814  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.828  -0.303  -1.629  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.109  -0.826   2.186  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.314  -0.236  -1.603  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  N   LIG    1       -0.317   4.128  -1.859  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -1.237   4.533  -1.722  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        0.428   4.810  -1.782  0.00  0.00    +0.144 HD
ENDBRANCH   5  24
BRANCH   1  27
ATOM     27  C   LIG    1        4.224  -0.416  -0.087  0.00  0.00    +0.087 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.304  -2.283   1.210  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1        4.179  -1.244   1.217  0.00  0.00    -0.003 C 
ATOM     30  C   LIG    1        4.297  -0.361   2.462  0.00  0.00    +0.008 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 4