REMARK  Name = BDB000178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.643  -0.594  -0.866  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.124  -1.765  -1.373  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.327  -1.977  -1.440  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.486  -3.235  -2.302  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.248  -3.217  -3.183  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.829  -2.694  -2.247  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.101   0.323  -0.498  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.903  -2.185  -0.024  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.378  -1.026   0.556  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -2.057  -0.156   0.138  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.876  -3.265   0.563  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.872  -0.991   1.929  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.007   0.443   2.440  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -4.149   0.873   3.147  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -4.229   2.198   3.607  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.173   3.085   3.412  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.026   2.659   2.756  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.318  -0.045   3.396  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -4.918  -1.514   3.331  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -1.942   1.350   2.281  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.191  -1.785   2.023  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        2.181  -0.486  -0.674  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.826   1.334  -2.210  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        2.513   0.921  -0.929  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        1.982   1.588  -0.377  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        3.000   0.550  -3.143  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        3.010   2.862  -2.359  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        4.511   3.149  -2.330  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        2.492   4.693  -3.904  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        2.324   3.285  -3.593  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        2.661   2.705  -4.365  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        2.660  -0.952   0.739  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1        4.183  -0.719   0.865  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        1.959  -0.198   1.886  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        2.405  -2.460   0.934  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7