REMARK  Name = BDB015919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.670   2.038   0.129  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.063   0.918  -0.023  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.405   1.034  -0.128  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.030   2.280  -0.117  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.188   3.362   0.062  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.153   3.276   0.187  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.144   0.462   0.285  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.753   0.624   0.176  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.135   1.890   0.248  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.974   3.003   0.437  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.359   2.861   0.549  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.940   1.596   0.474  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.283  -3.297  -0.550  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.132  -2.515  -0.171  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.045  -3.135   0.323  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.194  -2.132   0.554  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.729  -0.867   0.212  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.993  -1.160  -0.258  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.463   2.496  -0.282  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.096   3.489   0.367  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.377   3.393  -0.028  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.350   4.324   0.491  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.598   2.386  -0.915  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.377   1.787  -1.109  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.165  -0.150  -0.266  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.911  -0.124   0.427  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.399  -1.393  -0.206  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.330  -2.577  -0.439  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.325  -2.928   0.695  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -3.069  -4.418   0.371  0.00  0.00    +0.250 C 
ATOM     31  F   LIG    1       -3.006  -5.246   1.437  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -3.931  -4.974  -0.510  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1       -1.710  -3.978  -0.220  0.00  0.00    +0.080 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6