REMARK  Name = BDB045205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.085   1.643   1.178  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.023   0.902   0.436  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.963   1.520  -0.406  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.936   2.917  -0.487  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.005   3.668   0.238  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.082   3.036   1.065  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.901   0.741  -1.139  0.00  0.00    -0.271 N 
ATOM      8  C   LIG    1        3.772   1.201  -2.137  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1        3.933   2.336  -2.561  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        4.498   0.010  -2.717  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        4.298  -1.091  -1.683  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        2.988  -0.698  -1.002  0.00  0.00    +0.122 C 
BRANCH  11  13
ATOM     13  C   LIG    1        5.492  -1.221  -0.749  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.386  -2.290  -0.931  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.502  -2.440  -0.106  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.747  -1.520   0.909  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.878  -0.450   1.098  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.760  -0.298   0.274  0.00  0.00    +0.004 A 
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.929   0.936   2.055  0.00  0.00    +0.151 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -4.655  -0.304   0.311  0.00  0.00    +0.042 C 
ATOM     21  N   LIG    1       -3.422  -1.078   0.192  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -3.548  -2.073   0.059  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.260  -0.709   0.792  0.00  0.00    +0.182 C 
ATOM     24  N   LIG    1       -1.290  -1.553   0.891  0.00  0.00    -0.272 NA
ATOM     25  H   LIG    1       -1.555  -2.430   0.441  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1       -2.129   0.561   1.311  0.00  0.00    -0.240 N 
ATOM     27  C   LIG    1       -3.141   1.503   1.212  0.00  0.00    +0.224 C 
ATOM     28  O   LIG    1       -3.149   2.576   1.819  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -4.263   1.176   0.257  0.00  0.00    +0.122 C 
ATOM     30  C   LIG    1       -5.319  -0.640   1.660  0.00  0.00    +0.032 C 
BRANCH  20  32
ATOM     31  C   LIG    1       -6.086  -2.117  -0.903  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -5.577  -0.666  -0.911  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -6.789   0.265  -1.067  0.00  0.00    +0.009 C 
ENDBRANCH  20  32
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5