REMARK  Name = BDB036993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752   2.209  -0.462  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.895   1.515  -0.071  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.510   0.273  -0.567  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.631   0.051   0.191  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.765   0.988   1.173  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -4.597   1.062   2.057  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.104  -0.411  -1.488  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.670   1.937   1.000  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.370   3.061   1.745  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.232   3.776   1.382  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.434   3.353   0.299  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.424  -1.165   0.085  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.006  -2.141   1.190  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.922  -2.099   1.770  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.910  -3.141   1.473  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.633  -3.792   2.196  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.201  -3.260   1.023  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.933  -4.158   1.428  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.645  -2.271  -0.031  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.932  -0.936   0.129  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1       -0.574   2.037  -2.829  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        0.077   1.784  -1.532  0.00  0.00    -0.326 N 
BRANCH  22  23
ATOM     23  C   LIG    1        1.519   1.995  -1.528  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        2.244   1.373  -0.311  0.00  0.00    +0.135 C 
ATOM     25  N   LIG    1        3.224   0.882  -1.270  0.00  0.00    -0.264 N 
ATOM     26  C   LIG    1        4.176  -0.081  -1.087  0.00  0.00    +0.403 C 
ATOM     27  O   LIG    1        4.657  -0.740  -1.999  0.00  0.00    -0.226 OA
ATOM     28  C   LIG    1        2.303   0.980  -2.393  0.00  0.00    +0.135 C 
BRANCH  26  29
ATOM     29  O   LIG    1        4.511  -0.187   0.224  0.00  0.00    -0.445 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.500  -1.152   0.663  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        5.044  -2.587   0.375  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.580  -0.961   2.185  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        6.877  -0.856   0.059  0.00  0.00    +0.055 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5