REMARK  Name = BDB055042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.921   0.363  -0.785  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1       -3.190   0.262  -2.117  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -2.165   0.363  -2.990  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -0.851   0.545  -2.613  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.577   0.631  -1.251  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.621   0.554  -0.327  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.429   0.033   0.599  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -5.387   0.128  -0.325  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -4.079   0.256   0.136  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1       -3.804   0.286   1.469  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.830   0.193   2.342  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1       -6.150   0.066   1.962  0.00  0.00    +0.035 A 
BRANCH   7  14
ATOM     13  O   LIG    1       -8.141  -0.141  -1.083  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -7.812  -0.102   0.087  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -8.724  -0.181   1.072  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -9.577  -0.264   0.594  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  C   LIG    1        0.804   0.836  -0.744  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        1.818   0.282  -1.498  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        1.591  -0.380  -2.227  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        0.991   1.441   0.304  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.201   0.352  -1.058  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.516  -0.677   0.030  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.967  -0.630   0.437  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        5.403   0.305   1.386  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.748   0.366   1.752  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.670  -0.504   1.172  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.247  -1.435   0.225  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.902  -1.498  -0.143  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 7