REMARK  Name = BDB032690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439   1.686   0.719  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.316   0.610   0.918  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.578   0.697   0.360  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.682  -0.267   0.418  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.706   0.246  -0.365  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.413   1.599  -0.821  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.665  -1.301   1.058  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.002   1.796  -0.382  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.148   2.863  -0.596  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.861   2.799  -0.047  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.063  -0.287  -0.397  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.832   0.072   0.884  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.639   1.103   1.526  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.861  -0.776   1.227  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.388  -0.519   2.050  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.331  -1.857   0.526  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.355  -2.440   0.873  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.583  -2.227  -0.734  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.128  -1.791  -0.659  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.959   1.637   1.282  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.780   0.941   0.342  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.752   0.170  -0.259  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -3.157  -0.134  -1.016  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -3.086   0.863   0.710  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.532   1.347   1.738  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -8.383   0.210   1.596  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.399  -0.157   0.523  0.00  0.00    -0.048 A 
ATOM     28  C   LIG    1       -6.047   0.195   0.658  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -5.117  -0.161  -0.321  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -5.548  -0.890  -1.437  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -6.888  -1.276  -1.573  0.00  0.00    -0.048 A 
ATOM     32  C   LIG    1       -7.341  -2.035  -2.786  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -7.809  -0.898  -0.591  0.00  0.00    +0.006 A 
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5