REMARK  Name = BDB001985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.200   0.301  -0.793  0.00  0.00    +0.000 C 
ATOM      2  C   LIG    1       -2.641  -0.788  -1.724  0.00  0.00    +0.186 C 
ATOM      3  O   LIG    1       -3.808  -0.914  -2.074  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -1.617  -1.734  -2.232  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1       -0.333  -1.595  -1.886  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.091  -0.523  -1.009  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        1.386  -0.400  -0.688  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        2.386  -1.317  -1.197  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        1.968  -2.437  -2.087  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1        2.753  -3.265  -2.541  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        3.694  -1.204  -0.895  0.00  0.00    +0.231 A 
ATOM     12  O   LIG    1        4.167  -0.189  -0.056  0.00  0.00    -0.418 OA
ATOM     13  C   LIG    1        5.498  -0.533  -0.043  0.00  0.00    +0.246 A 
ATOM     14  N   LIG    1        5.888  -1.563  -0.733  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1        4.744  -1.973  -1.286  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1        4.619  -2.809  -1.861  0.00  0.00    +0.192 HD
ATOM     17  O   LIG    1        0.634  -2.501  -2.378  0.00  0.00    -0.422 OA
ATOM     18  C   LIG    1       -0.893   0.410  -0.485  0.00  0.00    +0.019 C 
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        6.352   0.338   0.785  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.826   1.428   1.490  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        6.666   2.231   2.265  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        8.030   1.949   2.339  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        8.559   0.866   1.640  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.723   0.060   0.864  0.00  0.00    +0.013 A 
ENDBRANCH  13  19
BRANCH   1  25
ATOM     25  C   LIG    1       -3.240   1.261  -0.276  0.00  0.00    +0.039 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.699   0.959   1.157  0.00  0.00    +0.005 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.513  -0.328   1.331  0.00  0.00    +0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.877  -0.345   0.631  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -8.218   0.577   0.517  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -6.842   0.722   1.148  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6