REMARK  Name = BDB011659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.220  -1.221   0.718  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.747  -0.367   0.227  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.510   0.145  -0.618  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.007  -2.161   1.473  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.083  -0.323   0.520  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.999   0.377  -0.429  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.617   0.853  -1.489  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.285   0.331   0.107  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.229  -0.489   1.272  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.194  -0.205   2.329  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.869  -0.760   1.519  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.432  -1.398   2.801  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.451   0.358  -0.773  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.079  -1.026  -1.026  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.543  -0.949  -1.468  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.839   0.324  -2.249  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.573   1.583  -1.421  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.492   1.399  -0.350  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.614   1.666  -0.113  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.179   0.296  -0.183  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.446  -0.064  -0.606  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1       -3.585  -1.410  -0.493  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1       -2.435  -1.961   0.015  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.571  -0.949   0.194  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.614   0.697  -1.140  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1       -4.894   1.747  -0.195  0.00  0.00    -0.368 OA
ATOM     27  C   LIG    1       -6.173   1.500   0.416  0.00  0.00    +0.165 C 
ATOM     28  C   LIG    1       -6.545   0.057   0.095  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1       -5.910  -0.092  -1.282  0.00  0.00    +0.046 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -8.038  -0.319   0.193  0.00  0.00    +0.026 C 
ATOM     31 BR   LIG    1       -8.576  -0.153   2.102  0.00  0.00    -0.085 Br
ATOM     32  C   LIG    1       -8.992   0.572  -0.609  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1       -8.262  -1.790  -0.186  0.00  0.00    +0.023 C 
ENDBRANCH  28  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5