REMARK  Name = BDB032831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.317  -0.317   1.629  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -2.195  -0.688   0.600  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.508  -0.265   0.692  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.624  -0.512  -0.228  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.714   0.190   0.266  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.438   0.770   1.573  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.563  -1.219  -1.215  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.982   0.503   1.752  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -3.130   0.885   2.771  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.792   0.476   2.701  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -7.080   0.035  -0.222  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.692  -1.294   0.250  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.401  -1.835   1.316  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.699  -1.806  -0.536  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -9.124  -2.662  -0.206  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.272  -1.240  -1.647  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.266  -1.738  -2.169  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.679   0.064  -2.127  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.214   0.180  -1.737  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.133  -0.727   1.571  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.826   0.244   0.784  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        2.697   0.999  -0.095  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.013   1.662  -0.429  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.162   0.016   0.686  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.732  -0.920   1.224  0.00  0.00    -0.226 OA
BRANCH  22  28
ATOM     26  C   LIG    1        6.418   0.571  -0.499  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        5.084   0.344  -0.089  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.036   1.186  -0.478  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        4.318   2.282  -1.295  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        5.624   2.530  -1.714  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        6.662   1.683  -1.320  0.00  0.00    +0.004 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.617  -0.395   1.498  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        7.535  -0.387  -0.044  0.00  0.00    -0.013 C 
ATOM     34  C   LIG    1        7.231  -1.815  -0.545  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1        8.937  -0.007  -0.573  0.00  0.00    +0.015 C 
ENDBRANCH  26  33
ENDBRANCH  22  28
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6