REMARK  Name = BDB030744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.916   4.146  -3.058  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.102   3.129  -2.033  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.022   2.504  -1.434  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.177   1.493  -0.482  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.955   0.768  -0.039  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.259   1.088  -0.437  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.434   2.150  -1.319  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.554   1.184   0.016  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -1.632   0.395   1.163  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -0.774   0.336   1.703  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.500  -0.769   1.366  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -3.896  -0.657   0.737  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.394   0.776   0.764  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.949   1.571  -0.327  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -4.761  -1.438   1.450  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -3.917  -1.144  -0.532  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.611   1.739  -0.626  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        1.331   2.842  -1.821  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.395   2.711  -1.762  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -3.372   3.135  -2.385  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -1.752  -2.001   0.914  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -2.011  -3.337   1.566  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -0.704  -2.633   1.800  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        3.378   0.340  -0.028  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        4.244   0.876  -0.031  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.541  -1.056   0.148  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.558  -1.569   0.975  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        4.633  -2.945   1.142  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        5.823  -3.712   2.125  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        3.793  -3.832   0.564  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        2.827  -3.324  -0.223  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        2.659  -1.968  -0.448  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        5.485  -0.700   1.626  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        6.226   0.047   2.117  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4