REMARK  Name = BDB000125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.713  -2.356  -0.869  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -2.931  -1.750  -0.751  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -3.580  -0.509  -0.324  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -5.006  -0.822  -0.596  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1       -5.242  -2.181  -1.158  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1       -6.080   0.016  -0.374  0.00  0.00    +0.221 C 
ATOM      7  O   LIG    1       -7.227  -0.342  -0.634  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.858  -2.681  -1.215  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1       -3.320  -3.826  -1.614  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1       -1.996  -3.608  -1.390  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1       -1.319  -4.338  -1.601  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        0.668  -2.719  -0.733  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1       -0.444  -1.907  -0.565  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1       -0.346  -0.990  -0.152  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.631  -3.884  -1.119  0.00  0.00    -0.270 OA
BRANCH  12  19
ATOM     16  C   LIG    1        4.495  -1.004   0.327  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        4.214  -2.370   0.499  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.975  -2.919   0.150  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        1.974  -2.102  -0.375  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.234  -0.744  -0.575  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.480  -0.207  -0.221  0.00  0.00    +0.024 A 
BRANCH  16  26
ATOM     22  C   LIG    1        9.126   1.900   0.030  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        8.044   1.054  -0.467  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        6.712   1.628  -0.170  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        5.943   0.926   0.972  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1        5.752  -0.512   0.693  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1        6.873  -1.149  -0.048  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        8.173  -0.321   0.067  0.00  0.00    +0.103 C 
ENDBRANCH  16  26
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   6  29
ATOM     29  C   LIG    1       -5.744   1.386   0.204  0.00  0.00    +0.131 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.936   2.283   0.437  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1       -7.396   3.134  -0.578  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.500   3.961  -0.362  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -9.158   3.940   0.866  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.717   3.089   1.878  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.614   2.262   1.665  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 5