REMARK  Name = BDB002320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577  -2.224  -1.147  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.462  -2.321  -1.956  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.911  -1.893  -1.663  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1        1.758  -2.505  -2.794  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.841  -3.526  -3.457  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.542  -2.933  -3.266  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -2.695  -2.515  -1.580  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.084  -0.363  -1.710  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        2.253   0.077  -1.103  0.00  0.00    -0.235 N 
ATOM     10  H   LIG    1        3.023  -0.554  -0.907  0.00  0.00    +0.173 HD
ATOM     11  O   LIG    1        0.304   0.397  -2.284  0.00  0.00    -0.272 OA
BRANCH   9  12
ATOM     12  N   LIG    1        2.630   1.410  -1.346  0.00  0.00    -0.264 N 
ATOM     13  H   LIG    1        1.964   1.867  -1.986  0.00  0.00    +0.170 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.777   2.198  -0.173  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        3.060   1.661   1.089  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        3.256   2.492   2.197  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.199   3.876   2.053  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.958   4.428   0.799  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.762   3.595  -0.306  0.00  0.00    +0.024 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.395  -1.651   0.279  0.00  0.00    +0.162 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -0.913   0.684   0.970  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -1.647  -0.216   0.230  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1       -2.406   0.108  -0.359  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1        0.043   0.328   1.658  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -1.421   2.146   0.888  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -1.248   2.707  -0.520  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -1.113   2.828   3.206  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -0.692   3.028   1.826  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1        0.305   2.797   1.752  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  C   LIG    1       -2.268  -2.330   1.365  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -1.968  -3.828   1.463  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -3.776  -2.100   1.223  0.00  0.00    +0.009 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 8