REMARK  Name = BDB030756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.961  -4.576   0.395  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.190  -3.343   0.327  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.851  -2.099   0.128  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.096  -0.918   0.052  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.764   0.288  -0.260  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.155   0.361  -0.428  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.884  -0.817  -0.304  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.377  -0.953   0.274  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.025   0.285   0.417  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -1.412   0.965   0.864  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.398   0.425   0.940  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -4.467  -0.177   0.004  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.110  -1.573  -0.487  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.362  -2.322   0.478  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -5.660  -0.229   0.666  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -4.677   0.626  -1.078  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -1.984  -2.160   0.346  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        2.244  -2.030  -0.033  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.193  -3.438   0.364  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -1.791  -4.513   0.424  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -3.636   1.905   1.164  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.060   2.601   2.375  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.544   2.381   2.271  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        2.728   1.597  -0.771  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        2.282   2.389  -0.312  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.971   1.935  -1.352  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.613   3.137  -1.012  0.00  0.00    +0.080 A 
ATOM     28 CL   LIG    1        3.910   4.251   0.102  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        5.843   3.428  -1.587  0.00  0.00    +0.132 A 
ATOM     30  N   LIG    1        6.473   2.622  -2.471  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1        5.837   1.477  -2.797  0.00  0.00    +0.112 A 
ATOM     32  C   LIG    1        4.609   1.099  -2.272  0.00  0.00    +0.044 A 
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 3