REMARK  Name = BDB030851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.585  -0.303   1.433  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        0.952  -0.227   2.757  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1        2.216   0.275   2.968  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        3.040   0.682   1.984  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        2.583   0.597   0.732  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        1.381   0.113   0.420  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.004   0.480  -1.307  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -3.895  -0.787  -0.727  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.736  -1.087   0.010  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -1.691  -0.181   0.180  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.700  -0.818   0.990  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.146  -2.100   1.247  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1       -1.800   1.083  -0.427  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -2.379  -2.244   0.664  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -2.943  -3.083   0.695  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -2.951   1.393  -1.166  0.00  0.00    +0.024 A 
BRANCH   7  19
ATOM     17  O   LIG    1       -7.074   0.947  -3.144  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.356   0.419  -2.298  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -5.097   0.915  -2.079  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1       -4.966   1.779  -2.592  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -6.889  -0.713  -1.503  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -8.303  -0.625  -0.959  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -7.141  -0.579  -0.017  0.00  0.00    +0.013 C 
ENDBRANCH  18  21
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  C   LIG    1        0.095  -0.639   3.895  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.577  -0.208   5.099  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.008  -1.991   4.021  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.177  -0.161   3.834  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1        3.353   1.018  -0.335  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1        2.936   0.628  -1.174  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.799   0.877  -0.214  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1        5.485   1.714  -1.323  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1        6.947   1.564  -1.355  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1        7.331   1.911  -0.475  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        7.322   0.159  -1.522  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1        6.740  -0.722  -0.418  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1        5.220  -0.594  -0.345  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6