REMARK  Name = BDB016179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.346  -1.965   0.764  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1        0.480  -0.644   0.551  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.288  -0.001  -0.541  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.529   0.669  -0.291  0.00  0.00    +0.057 A 
ATOM      5  N   LIG    1       -1.990   0.663   1.036  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1       -1.719  -0.201   1.511  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1       -3.329   1.067   1.436  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1       -3.593   2.509   1.080  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1       -4.006   2.687  -0.342  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -3.274   2.161  -1.352  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.632   2.473  -2.247  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.996   3.366  -0.628  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.389   0.062   0.993  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -2.120   1.353  -1.376  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -1.550   1.243  -2.664  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -0.374   0.536  -2.893  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        0.266  -0.073  -1.828  0.00  0.00    +0.010 A 
ENDBRANCH   2   3
BRANCH   1  19
ATOM     18  C   LIG    1        0.415  -4.110   2.033  0.00  0.00    +0.125 C 
ATOM     19  N   LIG    1        0.863  -2.758   1.765  0.00  0.00    -0.352 N 
ATOM     20  H   LIG    1        1.181  -2.251   2.589  0.00  0.00    +0.145 HD
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1        1.328   0.211   1.442  0.00  0.00    +0.046 C 
ATOM     22  N   LIG    1        0.845   1.220   2.102  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -0.161   1.322   1.882  0.00  0.00    +0.186 HD
BRANCH  21  24
ATOM     24  C   LIG    1        2.815  -0.095   1.555  0.00  0.00    +0.090 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.518  -0.104   0.218  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        3.922  -1.310  -0.369  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.550  -1.312  -1.616  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.775  -0.111  -2.287  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.372   1.093  -1.713  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.746   1.098  -0.466  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 5