REMARK  Name = BDB036214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.300  -0.112  -1.964  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.747   0.141  -2.980  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.072   0.638  -2.357  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.569  -0.337  -1.360  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.549  -0.622  -0.320  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.221  -1.080  -0.971  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.867  -0.138  -0.848  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.653   1.025  -0.989  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        4.146   2.094  -1.624  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.905   1.192  -0.505  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.446   0.143   0.151  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        5.784  -1.062   0.342  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.491  -1.194  -0.166  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.838   0.333   0.673  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.090  -0.209   1.926  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.301  -0.448   2.512  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.354   0.037   2.575  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.681   0.942   0.026  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.526  -0.601  -2.614  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.460  -0.189   1.621  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -5.948   1.233   1.424  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -6.443   2.170   2.033  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -4.916   1.377   0.534  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1       -4.566   2.314   0.406  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.355   0.284  -0.147  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -4.881  -0.994   0.118  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1       -4.327  -2.100  -0.517  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -3.256  -1.947  -1.396  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.717  -0.675  -1.670  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1       -3.289   0.468  -1.058  0.00  0.00    -0.021 A 
ATOM     31  C   LIG    1       -2.744   1.849  -1.324  0.00  0.00    +0.046 C 
ATOM     32  N   LIG    1       -5.947  -1.216   1.010  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1       -7.067  -0.465   4.018  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -7.594  -0.384   2.597  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5