REMARK  Name = BDB013082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.515  -0.742  -0.388  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.166   0.507  -0.417  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.535   0.481  -0.326  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.935   1.778  -0.447  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.884   2.562  -0.537  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.269  -0.698  -0.176  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.648  -1.847  -0.159  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.236   1.758  -0.520  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.270  -1.836  -0.255  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.752  -1.069  -0.549  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1        4.190  -0.095   0.209  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1        2.835  -0.025   0.222  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        1.986  -0.894  -0.464  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.600  -1.884  -1.239  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.993  -1.978  -1.279  0.00  0.00    +0.033 A 
BRANCH  10  17
ATOM     16  O   LIG    1        6.737  -2.253  -0.995  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        6.251  -1.198  -0.578  0.00  0.00    +0.265 C 
ATOM     18  N   LIG    1        7.062  -0.156  -0.152  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        6.667   1.194   0.227  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        7.971   1.982   0.240  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        9.005   0.927   0.607  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        8.506  -0.302  -0.137  0.00  0.00    +0.108 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -3.642  -0.667  -0.069  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.982  -1.619  -0.211  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.245  -0.168   1.164  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.730  -0.405   1.125  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -6.580   0.354   0.325  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.273   1.444  -0.632  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.690   1.958  -0.886  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.636   0.911  -0.576  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.942   0.090   0.275  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.521  -0.927   1.004  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -7.692  -1.698   1.818  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -6.312  -1.442   1.877  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5