REMARK  Name = BDB021351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.634  -0.152  -0.504  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.850  -0.748   0.532  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.479  -0.585   0.461  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.066  -1.270   1.522  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.008  -1.789   2.206  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.149   0.123  -0.576  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.565   0.620  -1.546  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.192  -1.466   1.589  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.937   0.482  -1.475  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.152   1.966  -1.194  0.00  0.00    +0.176 C 
ATOM     11  N   LIG    1        6.297   0.825  -0.927  0.00  0.00    -0.232 N 
ATOM     12  C   LIG    1        4.917   1.000  -0.847  0.00  0.00    +0.275 A 
ATOM     13  O   LIG    1        4.367   2.089  -1.014  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        4.101  -0.226  -0.544  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.749  -1.366  -0.267  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        6.212  -1.357  -0.310  0.00  0.00    +0.134 A 
ATOM     17  N   LIG    1        6.949  -0.347  -0.623  0.00  0.00    -0.177 NA
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        0.971  -2.589   3.392  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        0.904  -3.239   4.352  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.519   0.272  -0.603  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.756   0.617  -1.535  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.151   1.171   0.362  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.620   1.288   0.072  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.490   0.201   0.127  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.219  -1.232   0.392  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.653  -1.729   0.576  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.557  -0.815  -0.084  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.841   0.351  -0.162  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.392   1.567  -0.512  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.544   2.673  -0.557  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.181   2.527  -0.265  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.400   3.615  -0.323  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5