REMARK  Name = BDB031036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.354   0.993   0.832  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        1.833   1.792   0.443  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.300  -0.021   0.963  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        3.573   0.349   0.726  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        4.551  -0.587   0.853  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.260  -1.880   1.244  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        5.195  -2.825   1.404  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        2.942  -2.158   1.496  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        1.956  -1.250   1.374  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.920  -0.112   0.551  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        6.879  -0.949  -0.055  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        8.167  -0.450  -0.326  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        8.534   0.859  -0.017  0.00  0.00    +0.079 A 
ATOM     14  N   LIG    1        9.835   1.205  -0.342  0.00  0.00    -0.244 NA
ATOM     15  C   LIG    1       10.447   0.179  -0.890  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       11.858   0.199  -1.361  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1        7.579   1.700   0.580  0.00  0.00    +0.029 A 
ATOM     18  S   LIG    1        9.511  -1.250  -1.049  0.00  0.00    -0.072 S 
ATOM     19  C   LIG    1        6.294   1.209   0.852  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1       -2.529   0.703  -0.695  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -1.618  -0.344  -0.753  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1       -0.353  -0.283  -0.273  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1        0.057   0.860   0.310  0.00  0.00    +0.125 A 
ATOM     24  C   LIG    1       -0.796   1.962   0.406  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -2.093   1.885  -0.101  0.00  0.00    +0.010 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -3.914   0.569  -1.276  0.00  0.00    +0.121 C 
BRANCH  26  30
ATOM     27  N   LIG    1       -7.397   0.337   0.174  0.00  0.00    -0.300 NA
ATOM     28  C   LIG    1       -6.161   0.566   0.955  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -5.018  -0.439   0.673  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -4.659  -0.590  -0.755  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1       -5.894  -0.818  -1.536  0.00  0.00    +0.100 C 
ATOM     32  C   LIG    1       -7.040   0.185  -1.252  0.00  0.00    +0.100 C 
BRANCH  27  34
ATOM     33  C   LIG    1       -9.562  -0.904   0.147  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -8.145  -0.814   0.706  0.00  0.00    +0.081 C 
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 6