REMARK  Name = BDB032547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.067   0.004   0.347  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -3.559   1.050   1.102  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.140   2.030   1.527  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.130   0.779   1.297  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.201   1.488   2.037  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        0.111   1.010   2.046  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        0.452  -0.143   1.318  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        1.769  -0.523   1.365  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1        2.092  -1.448   0.311  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1        1.029  -2.544   0.250  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1       -0.248  -1.996  -0.109  0.00  0.00    -0.484 OA
ATOM     12  C   LIG    1       -0.517  -0.855   0.594  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -1.809  -0.373   0.581  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.015  -0.890  -0.122  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -8.959   1.539  -1.670  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.902   1.133  -1.196  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -6.701   1.431  -1.790  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -6.746   2.025  -2.606  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.455   0.940  -1.472  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -4.491   1.179  -2.198  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -5.393  -0.004  -0.261  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -6.522   0.308   0.722  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -7.857   0.212   0.001  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1        3.471  -2.057   0.596  0.00  0.00    +0.208 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.532  -1.099   0.647  0.00  0.00    -0.371 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.814  -0.477  -0.605  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.164   0.198  -0.564  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        6.374   1.392  -1.270  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        7.629   2.004  -1.276  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.691   1.425  -0.584  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.500   0.234   0.112  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.245  -0.379   0.117  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 5