REMARK  Name = BDB012363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.002   1.081   0.259  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.381   0.172   1.409  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1        1.617  -0.501   1.471  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        1.902  -1.334   2.565  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.975  -1.490   3.593  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1        1.342  -2.516   4.925  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -0.241  -0.821   3.551  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.535   0.008   2.468  0.00  0.00    +0.009 A 
BRANCH   3   9
ATOM      9  C   LIG    1        2.652  -0.370   0.441  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        3.446   0.711   0.381  0.00  0.00    +0.008 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.485   0.910  -0.639  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1        5.288  -0.142  -1.107  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        6.280   0.096  -2.063  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        6.476   1.386  -2.543  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        7.428   1.614  -3.457  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.701   2.444  -2.083  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        4.711   2.208  -1.125  0.00  0.00    +0.011 A 
ENDBRANCH  10  11
ENDBRANCH   3   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -1.277   0.714  -0.284  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1       -2.491  -0.939  -1.531  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1       -1.306  -0.262  -1.202  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1       -0.325  -0.803  -2.011  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -0.972  -1.758  -2.801  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -2.271  -1.843  -2.537  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1       -5.383   0.078   0.604  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -4.080   0.024   0.100  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -3.817  -0.819  -0.971  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1       -4.808  -1.579  -1.524  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -6.050  -1.522  -1.001  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -6.391  -0.715   0.062  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -4.844   1.099   2.676  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -5.639   0.963   1.762  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.810   1.625   1.680  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -7.265   1.562   0.819  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8