REMARK  Name = BDB034497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.691   2.526  -0.970  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.190   1.178  -1.222  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.439   0.022  -1.014  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.924  -1.103  -0.938  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.033   0.121  -0.886  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.653  -0.507   0.199  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.044  -0.440   0.301  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -3.830   0.227  -0.657  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -5.237   0.321  -0.573  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -5.868  -0.245   0.421  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -5.121  -0.945   1.424  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -5.466  -1.637   2.562  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -4.347  -2.123   3.194  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -3.335  -1.751   2.438  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -3.188   0.820  -1.746  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -3.755  -1.032   1.353  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.797   0.762  -1.871  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -7.227  -0.117   0.454  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -7.646  -0.066   1.373  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.553   0.605  -0.178  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.617   1.076  -1.536  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        3.482   0.491  -0.483  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.456  -0.277  -1.084  0.00  0.00    +0.220 A 
ATOM     24  N   LIG    1        5.461  -0.897  -0.455  0.00  0.00    -0.209 NA
ATOM     25  C   LIG    1        5.471  -0.772   0.905  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        4.511  -0.005   1.595  0.00  0.00    +0.033 A 
ATOM     27  O   LIG    1        4.353  -0.338  -2.464  0.00  0.00    -0.474 OA
ATOM     28  C   LIG    1        3.500   0.647   0.887  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        3.016   0.160  -2.711  0.00  0.00    +0.258 C 
BRANCH  25  30
ATOM     30  C   LIG    1        6.577  -1.446   1.707  0.00  0.00    +0.434 C 
ATOM     31  F   LIG    1        6.112  -2.019   2.858  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        7.236  -2.437   1.045  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        7.536  -0.561   2.110  0.00  0.00    -0.164 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4