REMARK  Name = BDB032181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.908   0.406  -2.101  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -2.739  -0.204  -1.179  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -4.213  -0.055  -0.989  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -4.474  -0.926   0.153  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -3.335  -1.587   0.581  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.244  -2.438   1.444  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.226  -1.100  -0.245  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.888  -1.436  -0.185  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -0.028  -0.838  -1.114  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -0.545   0.085  -2.060  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.812  -1.297   0.605  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.828  -0.143   0.628  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.526   1.048   0.649  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.153  -0.514   0.670  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.817   0.249   0.677  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.680  -1.749   0.393  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.888  -1.901   0.237  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.704  -2.898   0.330  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.366  -2.450  -0.233  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -1.668   1.952  -3.888  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.512   1.266  -2.970  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1        1.450  -1.140  -1.085  0.00  0.00    +0.269 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.074  -0.152  -0.263  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.427  -0.267  -0.203  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1        3.894   0.713   0.624  0.00  0.00    -0.251 N 
ATOM     26  H   LIG    1        3.164   1.295   1.010  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        4.063  -1.116  -0.808  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.221   0.990   0.993  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        5.430   2.065   1.867  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        6.721   2.414   2.288  0.00  0.00    -0.048 A 
ATOM     31  C   LIG    1        6.923   3.542   3.257  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        7.810   1.660   1.840  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1        7.622   0.593   0.954  0.00  0.00    -0.048 A 
ATOM     34  C   LIG    1        8.789  -0.230   0.493  0.00  0.00    +0.044 C 
ATOM     35  C   LIG    1        6.322   0.259   0.544  0.00  0.00    +0.026 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6