REMARK  Name = BDB033520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068  -1.800   2.357  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.182  -1.264   1.679  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.893  -0.173   2.185  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.495   0.366   3.411  0.00  0.00    +0.145 A 
ATOM      5  F   LIG    1        2.164   1.412   3.923  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        0.430  -0.166   4.125  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -0.270  -1.255   3.603  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.001   0.430   1.548  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        3.406   1.211   2.055  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        3.571   0.089   0.335  0.00  0.00    +0.218 C 
ATOM     11  O   LIG    1        3.208  -0.813  -0.411  0.00  0.00    -0.275 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.753   0.983   0.008  0.00  0.00    +0.101 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.359   0.645  -1.352  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.557   1.502  -1.645  0.00  0.00    -0.010 A 
ATOM     15  S   LIG    1        6.364   3.036  -2.383  0.00  0.00    -0.102 S 
ATOM     16  C   LIG    1        8.049   3.327  -2.364  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        8.748   2.278  -1.810  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        7.886   1.222  -1.395  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  N   LIG    1       -0.560  -2.929   1.818  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1       -0.323  -3.045   0.834  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.982  -3.175   2.040  0.00  0.00    +0.136 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -4.370  -0.838  -0.730  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -3.838  -2.077  -1.111  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.073  -2.832  -0.216  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -2.825  -2.365   1.082  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.346  -1.122   1.460  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -4.112  -0.368   0.564  0.00  0.00    +0.009 A 
BRANCH  22  32
ATOM     28  C   LIG    1       -7.724   2.269  -2.671  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -6.655   1.315  -2.508  0.00  0.00    -0.274 N 
ATOM     30  N   LIG    1       -6.037   0.823  -3.596  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.128  -0.013  -3.085  0.00  0.00    +0.142 A 
ATOM     32  C   LIG    1       -5.159  -0.061  -1.671  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.170   0.816  -1.334  0.00  0.00    +0.116 A 
ENDBRANCH  22  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8