REMARK  Name = BDB013205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.665  -0.218   0.104  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.115   1.014   0.537  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.760   1.181   0.383  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.488   2.417   0.893  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.599   2.982   1.310  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.079   0.209  -0.181  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.439  -0.928  -0.565  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.629   2.094   1.086  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.799  -1.113  -0.418  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1       -4.683   0.932  -1.805  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -5.046  -0.038  -0.721  0.00  0.00    +0.067 A 
ATOM     12  N   LIG    1       -6.393  -0.385  -0.590  0.00  0.00    -0.144 N 
ATOM     13  O   LIG    1       -7.288   0.067  -1.374  0.00  0.00    -0.164 OA
ATOM     14  C   LIG    1       -6.771  -1.260   0.420  0.00  0.00    +0.133 A 
ATOM     15  C   LIG    1       -5.853  -1.798   1.312  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -4.515  -1.450   1.191  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -4.098  -0.569   0.183  0.00  0.00    +0.010 A 
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  N   LIG    1        1.426   0.479  -0.304  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.706   1.452  -0.358  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.294  -0.394  -1.079  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.725  -0.008  -0.843  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.383  -0.287   0.351  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.882  -0.929   1.591  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.214  -1.152   2.309  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.191  -0.221   1.789  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.698   0.113   0.555  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.415   0.803  -0.401  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.779   1.088  -1.609  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.452   0.686  -1.818  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.867   0.999  -2.983  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4