REMARK  Name = BDB039000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.239  -1.085  -0.163  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.969  -1.535  -0.474  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.853  -0.647  -0.167  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.534  -1.060  -0.769  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.393  -2.255  -1.515  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.159  -2.608  -2.080  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.022  -1.814  -1.906  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.169  -0.648  -1.148  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.709   0.347  -0.773  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.014   1.271  -0.018  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.250   0.912   0.098  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.599  -3.129  -1.754  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.383  -0.267  -0.589  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.654  -2.945  -0.666  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.492   0.054   0.210  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.608   2.521   0.575  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -0.374   3.718  -0.358  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.929   5.011   0.236  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.367   5.278   1.629  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.588   4.092   2.563  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.026   2.800   1.971  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.515  -1.618  -0.013  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.189  -2.050  -0.318  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.103   0.411  -1.174  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.034  -0.533  -0.390  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.436  -0.535  -1.033  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -5.585  -0.753  -0.044  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.224  -1.680   1.114  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -3.964  -1.220   1.865  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -3.120  -0.195   1.101  0.00  0.00    +0.006 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.096  -3.104   0.611  0.00  0.00    +0.308 C 
ATOM     32  O   LIG    1       -4.085  -3.662   0.220  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.279  -3.748   0.593  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -6.061  -4.640   0.248  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6