REMARK  Name = BDB027735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.643  -0.185  -0.586  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        1.904  -1.085  -1.547  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        0.872  -1.804  -2.001  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.428  -1.650  -1.521  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.467  -2.428  -2.088  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.165  -3.336  -3.086  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.081  -3.522  -3.553  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.592  -0.694  -0.497  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.052  -2.748  -3.001  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.437   0.035  -0.036  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.025   1.729   2.119  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.956   1.456   0.999  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.766   0.624  -0.139  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        3.965   0.718  -0.821  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        4.757   1.560  -0.104  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        5.704   1.860  -0.310  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        4.172   2.023   1.008  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -1.880  -0.488   0.015  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1       -2.277  -1.384   0.300  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.233   0.583   0.997  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -1.569   0.302   2.353  0.00  0.00    +0.040 C 
ATOM     22  C   LIG    1       -1.869   1.976   0.460  0.00  0.00    +0.040 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.779   0.575   1.234  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1       -4.469   0.842   0.101  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -4.157   1.482   2.163  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -4.187  -0.644   1.670  0.00  0.00    -0.168 F 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4