REMARK  Name = BDB051718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.923  -0.240   0.879  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        0.669  -0.920   0.899  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.296  -2.330   1.219  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.207  -2.454   1.583  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -2.120  -1.529   0.818  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.683  -0.310   0.326  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -2.459   0.586  -0.302  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -3.749   0.256  -0.436  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -4.277  -0.894   0.006  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -3.457  -1.761   0.632  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -0.273  -0.005   0.473  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        0.409   1.149   0.243  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -0.121   2.418  -0.196  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        1.733   1.037   0.487  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        8.244   1.644   0.228  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        6.897   1.098   0.127  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        6.841  -0.327   0.507  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        5.694  -0.729   1.460  0.00  0.00    +0.123 C 
ATOM     19  N   LIG    1        4.423  -0.094   1.122  0.00  0.00    -0.294 N 
ATOM     20  C   LIG    1        3.242  -0.842   1.224  0.00  0.00    +0.267 C 
ATOM     21  O   LIG    1        3.289  -2.017   1.599  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        4.497   1.327   0.769  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        5.921   1.911   0.866  0.00  0.00    +0.103 C 
ENDBRANCH   1  20
BRANCH   8  24
ATOM     24  N   LIG    1       -4.525   1.198  -1.081  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -3.880   1.817  -1.556  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.700   0.827  -1.849  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1       -5.492  -0.320  -2.849  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -6.533  -1.374  -2.482  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -7.652  -0.580  -1.827  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -6.911   0.451  -0.989  0.00  0.00    +0.022 C 
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 3