REMARK  Name = BDB014904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.529   5.020   0.889  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.137   4.552   0.551  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.925   3.182   0.466  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.573   2.769   0.040  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.344   1.329   0.331  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.178   0.526   0.216  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.444  -0.736   0.574  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.740  -0.740   0.928  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.329   0.473   0.774  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.732   0.862   1.039  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.018   2.195   0.315  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.236   5.373   0.372  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.003   1.030  -0.213  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        0.055   2.022  -0.429  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.267   0.428  -0.416  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        2.322   1.231  -0.883  0.00  0.00    +0.145 A 
ATOM     17  F   LIG    1        2.092   2.534  -1.118  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        3.600   0.727  -1.117  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.861  -0.622  -0.879  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1        2.825  -1.445  -0.423  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.544  -0.923  -0.192  0.00  0.00    +0.027 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.176  -1.179  -1.124  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.371  -0.695  -0.616  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        6.677   0.444   0.287  0.00  0.00    +0.066 C 
ATOM     25  N   LIG    1        7.343  -1.528  -1.119  0.00  0.00    -0.271 N 
ATOM     26  C   LIG    1        8.770  -1.441  -0.907  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.857  -2.533  -1.871  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.542  -2.319  -1.873  0.00  0.00    +0.143 A 
ENDBRANCH  19  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.340  -1.983   1.383  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.714  -2.878   0.223  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -2.570  -3.598  -0.504  0.00  0.00    +0.167 C 
ATOM     32  O   LIG    1       -3.250  -4.873  -0.365  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1       -4.162  -4.293   0.599  0.00  0.00    +0.167 C 
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 5