REMARK  Name = BDB016809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.806   0.873   0.891  0.00  0.00    -0.320 N 
ATOM      2  C   LIG    1        0.478   0.767   0.654  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.778   1.058   1.248  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -1.746   0.632   0.285  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1       -1.081   0.003  -0.916  0.00  0.00    +0.163 C 
ATOM      6  O   LIG    1       -0.927   1.575   2.341  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.343   0.180  -0.557  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        1.542  -0.074  -1.129  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.440   0.352  -0.238  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.132   0.804   0.365  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.965   0.434  -0.630  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -5.339   0.597  -0.563  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -6.144   0.152  -1.692  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.975   1.161   0.539  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -7.189   1.321   0.631  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -5.074   1.579   1.656  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.730   2.184   2.856  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -3.747   1.397   1.542  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   5  19
ATOM     19  C   LIG    1       -1.280  -1.494  -1.071  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -1.091  -2.079  -2.338  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.264  -3.452  -2.529  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.625  -4.260  -1.454  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.841  -5.950  -1.688  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.809  -3.707  -0.190  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.633  -2.333   0.002  0.00  0.00    +0.007 A 
ENDBRANCH   5  19
BRANCH   9  26
ATOM     26  C   LIG    1        3.883   0.227  -0.425  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.433  -1.001  -0.781  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        5.757  -1.225  -0.971  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        6.574  -0.161  -0.826  0.00  0.00    +0.214 A 
ATOM     30  C   LIG    1        6.127   1.110  -0.500  0.00  0.00    +0.068 A 
ATOM     31  C   LIG    1        4.760   1.306  -0.302  0.00  0.00    +0.018 A 
BRANCH  29  32
ATOM     32  O   LIG    1        7.935  -0.302  -1.006  0.00  0.00    -0.480 OA
ATOM     33  C   LIG    1        8.314  -1.627  -1.363  0.00  0.00    +0.279 C 
ENDBRANCH  29  32
ENDBRANCH   9  26
BRANCH   1  35
ATOM     34  C   LIG    1        2.394   2.848   2.259  0.00  0.00    +0.027 C 
ATOM     35  C   LIG    1        2.397   1.334   2.132  0.00  0.00    +0.120 C 
ENDBRANCH   1  35
TORSDOF 5