REMARK  Name = BDB021182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.370   1.565   0.832  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.558   0.192   0.497  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.572  -0.691   0.892  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.966  -1.943   0.483  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.180  -1.766  -0.154  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        0.590  -0.288   1.584  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.750   0.975   1.877  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.532  -0.432  -0.137  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -0.231   1.864   1.494  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -3.611   5.847  -0.687  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.282   4.504  -0.155  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -4.250   3.708   0.303  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -3.611   2.577   0.684  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.411   1.528   1.278  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -2.247   2.639   0.493  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -2.017   3.892  -0.049  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -3.025  -2.816  -0.729  0.00  0.00    +0.266 C 
ATOM     18  N   LIG    1       -2.488  -3.557  -1.795  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1       -1.467  -3.021  -2.685  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -3.331  -4.596  -2.359  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -4.138  -3.048  -0.259  0.00  0.00    -0.268 OA
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        1.519  -1.244   1.928  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        1.425  -2.183   1.562  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.855  -0.931   2.390  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.839  -1.121   1.272  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.191  -0.102   0.394  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.703   1.296   0.297  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        4.756   1.859  -0.657  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.323   0.773  -1.424  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        5.087  -0.330  -0.645  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        5.660  -1.565  -0.868  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        5.321  -2.604  -0.003  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        4.421  -2.377   1.047  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        4.101  -3.405   1.846  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5