REMARK  Name = BDB030853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.686   0.865  -0.623  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        0.913   2.189  -0.333  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1        2.153   2.446   0.202  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        3.089   1.503   0.420  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        2.774   0.243   0.103  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        1.603  -0.110  -0.428  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.565  -0.350   0.024  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.062  -0.543  -1.278  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.711  -0.260  -1.539  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -1.838   0.213  -0.562  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.566   0.395  -1.184  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.691   0.006  -2.502  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1       -2.339   0.398   0.739  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -1.989  -0.379  -2.706  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -2.366  -0.714  -3.582  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -3.689   0.118   1.010  0.00  0.00    +0.024 A 
BRANCH   7  19
ATOM     17  O   LIG    1       -6.039  -0.450   2.681  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.528  -0.669   1.583  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -5.933  -0.626   0.311  0.00  0.00    -0.271 N 
ATOM     20  C   LIG    1       -6.874  -1.037  -0.704  0.00  0.00    +0.114 C 
ATOM     21  C   LIG    1       -8.230  -0.847  -0.058  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -7.959  -1.121   1.406  0.00  0.00    +0.098 C 
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   2  23
ATOM     23  C   LIG    1       -0.070   3.276  -0.558  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1       -1.105   3.254   0.323  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        0.484   4.518  -0.423  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.620   3.274  -1.803  0.00  0.00    -0.166 F 
ENDBRANCH   2  23
BRANCH   5  27
ATOM     27  N   LIG    1        3.671  -0.792   0.310  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1        3.321  -1.566  -0.245  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.085  -0.468   0.141  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1        5.862  -1.726  -0.313  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        7.301  -1.522  -0.522  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1        7.490  -1.316  -1.503  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        7.865  -0.456   0.309  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        7.149  -0.312   1.647  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1        5.676   0.060   1.462  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5