REMARK  Name = BDB002617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.834  -0.831   1.285  0.00  0.00    +0.097 A 
ATOM      2  N   LIG    1        1.546  -1.445   2.447  0.00  0.00    -0.173 NA
ATOM      3  N   LIG    1        0.356  -2.025   2.239  0.00  0.00    -0.272 N 
ATOM      4  H   LIG    1       -0.065  -2.566   2.988  0.00  0.00    +0.189 HD
ATOM      5  C   LIG    1       -0.173  -1.800   1.000  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.769  -1.021   0.359  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.509   1.813   3.375  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        4.864   1.250   2.143  0.00  0.00    -0.049 A 
ATOM      9  C   LIG    1        3.687   0.500   2.242  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        3.078  -0.068   1.108  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        3.698   0.113  -0.143  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        4.881   0.868  -0.267  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        5.557   1.093  -1.590  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        5.458   1.419   0.888  0.00  0.00    +0.010 A 
BRANCH  11  15
ATOM     15  O   LIG    1        3.146  -0.473  -1.255  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1        3.832  -0.565  -1.935  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1       -1.449  -2.339   0.616  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1       -1.858  -2.023  -0.656  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -1.323  -1.355  -1.190  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -2.119  -3.027   1.380  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.164  -2.383  -1.154  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.105  -1.208  -1.077  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1       -4.299  -0.377  -2.193  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -5.152   0.699  -2.060  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1       -5.452   1.597  -3.036  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       -6.365   2.465  -2.332  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1       -6.589   2.075  -0.962  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1       -5.799   0.972  -0.878  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1       -5.629   0.186   0.240  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -4.770  -0.913   0.137  0.00  0.00    +0.009 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 5