REMARK  Name = BDB030845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.285  -1.007  -0.064  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.992  -1.149  -0.358  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.291  -2.090   0.317  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.840  -2.872   1.307  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1       -2.175  -2.638   1.540  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -2.906  -1.719   0.880  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.102  -2.183  -0.086  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.111  -1.171  -0.072  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.277  -1.742  -0.574  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.484  -1.033  -0.692  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.528   0.312  -0.294  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        3.355   0.896   0.209  0.00  0.00    +0.024 A 
ATOM     13  N   LIG    1        2.984  -3.046  -0.903  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1        3.647  -3.694  -1.308  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        2.153   0.177   0.325  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.670  -3.320  -0.627  0.00  0.00    +0.093 A 
BRANCH  11  17
ATOM     17  N   LIG    1        5.728   1.074  -0.391  0.00  0.00    -0.271 N 
ATOM     18  C   LIG    1        6.913   0.688  -1.040  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        7.187  -0.360  -1.605  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        7.864   1.861  -0.997  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        7.311   2.714   0.126  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1        5.823   2.440   0.072  0.00  0.00    +0.114 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  C   LIG    1       -0.094  -3.891   2.085  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1        0.196  -5.010   1.365  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -0.797  -4.340   3.168  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        1.085  -3.443   2.595  0.00  0.00    -0.166 F 
ENDBRANCH   4  23
BRANCH   1  27
ATOM     27  N   LIG    1       -2.963  -0.052  -0.803  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -2.239   0.521  -1.224  0.00  0.00    +0.149 HD
BRANCH  27  32
ATOM     29  C   LIG    1       -6.764   1.063   1.368  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1       -6.601   0.643  -0.021  0.00  0.00    -0.304 NA
ATOM     31  C   LIG    1       -5.370  -0.145  -0.215  0.00  0.00    +0.106 C 
ATOM     32  C   LIG    1       -4.042   0.661  -0.116  0.00  0.00    +0.087 C 
ATOM     33  C   LIG    1       -4.200   2.060  -0.752  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1       -5.395   2.115  -1.696  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -6.694   1.773  -0.957  0.00  0.00    +0.084 C 
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 5