REMARK  Name = BDB042509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.337   1.671   0.626  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.391   1.510   1.753  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.630   0.175   1.661  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.028  -0.060   0.339  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.034  -0.957   0.281  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.534  -1.437   1.300  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.897   0.239  -0.813  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.635   1.586  -0.676  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.273   0.249   0.743  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        6.878   0.994  -0.310  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1        5.594   1.439  -0.291  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        4.636   1.170   0.699  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        5.118   0.412   1.773  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.435  -0.059   1.802  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.723  -0.618   0.737  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        8.632  -0.217   0.719  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.568  -1.309  -1.099  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.808  -2.210  -1.057  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.077  -1.467  -0.707  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.210  -1.036   0.593  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -2.457  -1.219   1.260  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.291  -0.346   1.101  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -4.320   0.019   2.270  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.395  -0.074   0.149  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.267  -0.523  -1.176  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.300  -0.278  -2.091  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.448   0.408  -1.689  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.569   0.851  -0.373  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.545   0.610   0.541  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.706   1.056   1.794  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.059  -1.240  -1.593  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5