REMARK  Name = BDB042534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.903   0.132  -0.270  0.00  0.00    -0.023 C 
ATOM      2  C   LIG    1        2.680  -0.735  -0.105  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1        1.511  -0.252  -0.963  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.330   1.197  -0.870  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.092   1.832  -0.923  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.010   3.042  -1.134  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.492   2.017  -1.191  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.783   1.378  -0.770  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.500  -1.626   1.121  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.245  -1.927   1.623  0.00  0.00    +0.130 A 
ATOM     11  N   LIG    1        5.097  -1.365   1.172  0.00  0.00    -0.254 NA
ATOM     12  C   LIG    1        5.186  -0.447   0.179  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        6.412  -0.096  -0.386  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        7.581  -0.692   0.093  0.00  0.00    +0.022 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.614  -2.779   2.071  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.666  -2.262   1.646  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.137   0.969  -0.699  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.417   1.806  -0.666  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.635   0.955  -0.408  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -4.085   0.174  -1.449  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.611   0.197  -2.344  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.182  -0.658  -1.396  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -5.528  -1.333  -2.359  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.918  -0.695  -0.110  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.466   0.106   0.951  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -6.155   0.082   2.169  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.279  -0.736   2.316  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.709  -1.522   1.251  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.787  -2.301   1.405  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.041  -1.513   0.034  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.284   0.953   0.768  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5