REMARK  Name = BDB025587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.885   1.473  -1.173  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -0.862   0.409  -1.245  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.105   0.081  -0.129  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.334   0.638   0.949  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.447   0.201  -2.633  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.936   1.441  -3.381  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.204   1.812  -2.638  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -3.016   0.501   0.801  0.00  0.00    -0.311 N 
ATOM      9  H   LIG    1       -2.079   0.577   1.204  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -3.192   1.094  -0.429  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1       -4.304   1.398  -0.860  0.00  0.00    -0.274 OA
BRANCH   8  13
ATOM     12  C   LIG    1       -3.768  -0.881   2.667  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.121   0.256   1.714  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -4.472   1.524   2.489  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  O   LIG    1        0.030   2.482  -3.261  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -0.333   3.275  -3.696  0.00  0.00    +0.210 HD
ENDBRANCH   6  15
BRANCH   3  17
ATOM     17  C   LIG    1        0.932  -1.050  -0.246  0.00  0.00    +0.200 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.217  -0.556   0.232  0.00  0.00    -0.239 N 
ATOM     19  N   LIG    1        2.632  -0.715   1.502  0.00  0.00    -0.065 NA
ATOM     20  N   LIG    1        3.842  -0.181   1.605  0.00  0.00    -0.134 NA
ATOM     21  C   LIG    1        4.177   0.324   0.386  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.168   0.089  -0.513  0.00  0.00    +0.134 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.509   1.037   0.074  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        5.489   2.464  -0.411  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        5.963   2.153   0.979  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH  17  18
BRANCH  17  26
ATOM     26  C   LIG    1        0.413  -2.424   0.321  0.00  0.00    -0.007 C 
ATOM     27  C   LIG    1       -0.819  -2.879  -0.498  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -0.011  -2.379   1.801  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        1.497  -3.512   0.150  0.00  0.00    +0.013 C 
ENDBRANCH  17  26
ENDBRANCH   3  17
TORSDOF 7