REMARK  Name = BDB014176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.281  -1.080  -1.019  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.809  -0.421  -0.518  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.795  -0.569  -1.476  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.312  -1.321  -2.530  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.072  -1.619  -2.220  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.148  -0.021  -1.415  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.803   0.098  -2.595  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.048   0.611  -2.575  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.697   1.015  -1.422  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.030   0.875  -0.206  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.730   0.357  -0.209  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.625   1.269   1.056  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.940   1.178   1.454  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        6.931   1.661   2.730  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        7.697   1.761   3.389  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        5.698   2.014   3.114  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        4.883   1.772   2.097  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        8.174   0.694   0.849  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        8.026  -0.512   0.255  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        8.644   1.552  -0.089  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        9.157   0.559   1.777  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.571  -1.214  -0.372  0.00  0.00    +0.131 C 
BRANCH  22  30
ATOM     23  C   LIG    1       -7.148  -0.842   2.911  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.944  -0.571   2.060  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1       -6.050  -0.557   0.664  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.926  -0.338  -0.150  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -5.127  -0.258  -1.644  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -3.831  -0.314  -2.448  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -2.765   0.564  -1.806  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -2.414   0.081  -0.386  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.670  -0.130   0.447  0.00  0.00    -0.039 A 
ATOM     32  C   LIG    1       -3.568  -0.150   1.848  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.691  -0.375   2.645  0.00  0.00    +0.003 A 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 5