REMARK  Name = BDB032557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.444   0.088   0.140  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -3.578   0.259   1.186  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -3.827   0.393   2.369  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.231   0.267   0.620  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.352   0.062  -0.744  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -1.254   0.004  -1.578  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -0.001   0.162  -0.983  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        1.083   0.082  -1.820  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1        2.297  -0.129  -1.083  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1        2.384   0.855   0.079  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1        1.330   0.594   1.026  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        0.121   0.398   0.407  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1       -1.005   0.436   1.231  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -3.776  -0.081  -1.042  0.00  0.00    +0.255 C 
ATOM     15  O   LIG    1       -4.220  -0.324  -2.147  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1       -9.634  -1.548  -0.600  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -8.518  -1.107  -0.341  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -7.494  -1.945   0.029  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -7.704  -2.934   0.010  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -6.181  -1.614   0.281  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -5.351  -2.492   0.509  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -5.873  -0.114   0.328  0.00  0.00    +0.171 C 
ATOM     23  C   LIG    1       -6.750   0.635  -0.672  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -8.213   0.373  -0.348  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
BRANCH  10  25
ATOM     25  C   LIG    1        3.729   0.764   0.806  0.00  0.00    +0.208 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.026  -0.596   1.139  0.00  0.00    -0.371 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.286  -0.742   1.797  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.428  -0.707   0.812  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        7.531   0.130   1.026  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        8.589   0.152   0.115  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.557  -0.666  -1.013  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.469  -1.508  -1.232  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.411  -1.532  -0.323  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5