REMARK  Name = BDB042700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.906  -1.034  -0.482  0.00  0.00    +0.177 C 
ATOM      2  C   LIG    1       -2.474  -2.497  -0.213  0.00  0.00    +0.067 C 
ATOM      3  C   LIG    1       -1.627  -2.652   1.064  0.00  0.00    +0.080 C 
ATOM      4  N   LIG    1       -0.503  -1.742   0.956  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -1.041  -0.413   1.188  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.958  -0.644   2.395  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.664  -2.084   0.309  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.864  -3.219  -0.119  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.343  -2.132   2.315  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -1.823  -0.005  -0.076  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.112  -0.805   0.262  0.00  0.00    -0.489 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -7.101   1.853  -0.917  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -5.902   1.840  -1.637  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -4.870   0.964  -1.279  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -5.031   0.092  -0.202  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -6.229   0.113   0.519  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -7.262   0.986   0.166  0.00  0.00    +0.022 A 
BRANCH  12  19
ATOM     18  N   LIG    1       -9.007   3.480  -1.585  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -8.155   2.751  -1.286  0.00  0.00    +0.099 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  C   LIG    1        1.696  -0.980   0.174  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.982  -1.488  -0.480  0.00  0.00    +0.062 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.017  -0.397  -0.597  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.805   0.566  -1.556  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        2.992   0.516  -2.159  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.640   1.635  -1.810  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        4.361   2.448  -2.683  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        5.860   1.726  -0.973  0.00  0.00    +0.082 A 
ATOM     28  C   LIG    1        6.082   0.738  -0.000  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1        7.231   0.804   0.800  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        8.147   1.845   0.631  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        7.919   2.823  -0.336  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        6.779   2.761  -1.135  0.00  0.00    +0.136 A 
ATOM     33  F   LIG    1        6.601   3.723  -2.050  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        5.115  -0.350   0.172  0.00  0.00    +0.030 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 6