REMARK  Name = BDB007534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.214   0.391  -1.128  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.114   0.694  -0.921  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.412   0.982   0.004  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.734   0.382  -2.238  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.243  -0.675   2.361  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1        1.442  -0.410   1.255  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.024   0.104   0.089  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.407   0.337   0.033  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        4.224   0.115   1.143  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.618  -0.417   2.292  0.00  0.00    +0.068 A 
BRANCH   5  12
ATOM     11  C   LIG    1        0.440  -1.520   3.669  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.819  -1.188   3.557  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  N   LIG    1        5.613   0.265   1.137  0.00  0.00    -0.341 N 
ATOM     14  H   LIG    1        5.976   0.422   2.075  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.307   1.028   0.091  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        7.602   1.613   0.674  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        8.589   1.902  -0.444  0.00  0.00    +0.161 C 
ATOM     18  O   LIG    1        8.977   0.731  -1.160  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1        8.041  -0.347  -1.115  0.00  0.00    +0.161 C 
ATOM     20  C   LIG    1        6.600   0.136  -1.125  0.00  0.00    +0.050 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1       -0.960   1.135  -2.017  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.448   1.097  -1.635  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.615   1.863  -0.427  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.524   2.799  -0.678  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.935  -0.357  -1.421  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.406  -0.527  -1.468  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.079   0.212  -0.380  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.550  -0.121  -0.215  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.102  -1.283  -0.778  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.460  -1.573  -0.592  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.262  -0.727   0.174  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.715   0.415   0.752  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.244  -2.179  -1.632  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.366   0.717   0.561  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.748  -1.958  -1.381  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9