REMARK  Name = BDB036237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.727  -1.039   0.196  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.253   0.184  -0.363  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.884   0.359  -0.411  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.655   1.603  -0.957  0.00  0.00    +0.121 A 
ATOM      5  CA  LIG    1        1.902   2.122  -1.234  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -0.033  -0.607   0.052  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.417  -1.718   0.570  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.886   1.229  -0.864  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        1.782  -1.901   0.632  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.854  -0.893  -2.009  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        5.031  -1.293  -0.630  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1        4.095  -1.400   0.377  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        4.790  -1.902   1.463  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.115  -2.046   1.026  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.269  -1.684  -0.246  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -1.382  -0.341  -0.051  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.668   0.318  -0.766  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.373  -1.372   0.204  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.733  -0.743   0.297  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.096   0.087   1.355  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.301   0.561   2.514  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -4.428   1.155   3.360  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -5.543   1.481   2.498  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.353   0.678   1.404  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.298   0.481   0.418  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.960  -0.354  -0.648  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -4.694  -0.953  -0.700  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -4.401  -1.734  -1.749  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   5  29
ATOM     29  C   LIG    1        2.273   3.439  -1.825  0.00  0.00    +0.212 C 
BRANCH  29  30
ATOM     30  O   LIG    1        3.593   3.415  -2.363  0.00  0.00    -0.389 OA
ATOM     31  H   LIG    1        4.050   2.709  -1.863  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6