REMARK  Name = BDB027744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.375   0.098  -0.132  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        1.964  -0.289  -1.273  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        1.182  -0.856  -2.197  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.191  -1.023  -2.027  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.944  -1.644  -3.054  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.301  -2.057  -4.206  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.018  -1.897  -4.406  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.717  -0.551  -0.808  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.712  -1.308  -3.397  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.066  -0.033   0.146  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.159   0.092   3.161  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.145   0.759   2.279  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.224   0.741   0.858  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.348   1.506   0.571  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        3.997   1.900  -0.703  0.00  0.00    +0.066 C 
ATOM     16  N   LIG    1        3.842   1.910   1.779  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        4.657   2.486   1.960  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        3.138   1.473   2.829  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  N   LIG    1       -2.107  -0.635  -0.606  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1       -2.547  -0.149  -1.389  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.744  -0.205   0.681  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1       -2.306  -1.109   1.840  0.00  0.00    +0.040 C 
ATOM     23  C   LIG    1       -4.258  -0.464   0.458  0.00  0.00    +0.040 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.593   1.304   1.039  0.00  0.00    +0.410 C 
ATOM     25  F   LIG    1       -2.927   2.076  -0.029  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -3.440   1.645   2.045  0.00  0.00    -0.168 F 
ATOM     27  F   LIG    1       -1.362   1.671   1.437  0.00  0.00    -0.168 F 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4