REMARK  Name = BDB012223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.770  -1.950   2.575  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.793  -0.917   1.916  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.314  -0.120   1.707  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.227   0.650   1.054  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.635  -0.492   2.204  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.540   0.746   2.331  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        3.539   0.914   1.181  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        2.974   0.416  -0.154  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1        2.562  -1.066  -0.105  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1        2.274  -1.565   1.314  0.00  0.00    +0.024 C 
BRANCH   8  11
ATOM     11  N   LIG    1        3.826   0.733  -1.282  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1        5.104   0.279  -1.535  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1        5.500   0.899  -2.704  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        6.740   0.678  -3.266  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        7.597  -0.207  -2.606  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.194  -0.841  -1.415  0.00  0.00    +0.002 A 
ATOM     17  O   LIG    1        4.534   1.743  -3.224  0.00  0.00    -0.407 OA
ATOM     18  C   LIG    1        5.930  -0.599  -0.866  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.494   1.619  -2.295  0.00  0.00    +0.422 A 
ATOM     20  O   LIG    1        2.440   2.234  -2.394  0.00  0.00    -0.223 OA
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.038  -0.381   1.247  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.244  -1.271   1.516  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.510  -0.770   0.864  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.620  -1.537   1.106  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.563  -2.366   1.682  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.862  -1.248   0.602  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -7.840  -1.948   0.835  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.940  -0.040  -0.236  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -5.760   0.683  -0.432  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -5.806   1.832  -1.224  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -7.008   2.247  -1.806  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.178   1.514  -1.599  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.148   0.365  -0.811  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -4.532   0.298   0.135  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5