REMARK  Name = BDB032385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.151  -2.004   1.312  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -1.451  -2.824   0.418  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.056  -2.768   0.344  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.666  -1.901   1.175  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.034  -1.083   2.072  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.427  -1.141   2.146  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.657  -2.091   1.403  0.00  0.00    +0.195 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -4.263  -0.822   1.651  0.00  0.00    -0.366 OA
BRANCH   8  15
ATOM      9  C   LIG    1       -7.000   2.523  -0.495  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -5.741   2.115  -1.121  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -4.579   2.438  -0.260  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1       -4.346   1.512   0.945  0.00  0.00    +0.287 C 
ATOM     13  F   LIG    1       -3.163   1.835   1.534  0.00  0.00    -0.201 F 
ATOM     14  F   LIG    1       -5.311   1.726   1.878  0.00  0.00    -0.201 F 
ATOM     15  C   LIG    1       -4.331   0.041   0.500  0.00  0.00    +0.190 C 
ATOM     16  C   LIG    1       -5.595  -0.269  -0.306  0.00  0.00    +0.053 C 
ATOM     17  C   LIG    1       -5.749   0.692  -1.487  0.00  0.00    +0.087 C 
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        2.173  -1.827   1.093  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.557  -0.596   0.417  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        1.909  -0.343  -0.325  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.890  -0.376   0.065  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        4.179   0.633  -0.865  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        5.500   0.964  -1.229  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        6.582   0.291  -0.629  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        7.888   0.662  -1.035  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        8.130   1.616  -1.953  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        7.070   2.241  -2.500  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        6.288  -0.695   0.339  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        5.757   1.957  -2.177  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        4.968  -1.008   0.686  0.00  0.00    +0.023 A 
BRANCH  25  31
ATOM     31  N   LIG    1        9.024   0.045  -0.485  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        9.031   0.200   0.518  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        8.979  -0.952  -0.662  0.00  0.00    +0.144 HD
ENDBRANCH  25  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7