REMARK  Name = BDB036982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.157  -1.209  -0.734  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -2.525  -1.016  -0.889  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -3.457  -0.206  -0.103  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.699  -0.373  -0.656  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.639  -1.142  -1.785  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.522  -1.416  -2.574  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -3.136   0.488   0.845  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.253  -1.582  -1.922  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.670  -2.394  -2.872  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.304  -2.637  -2.738  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.564  -2.062  -1.678  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -5.859   0.395  -0.231  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -6.030   1.606  -1.154  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.118   2.099  -1.815  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.282   2.180  -1.156  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.396   2.989  -1.753  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.424   1.717  -0.550  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.492   2.307  -0.678  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.278   0.493   0.325  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -7.155  -0.408  -0.168  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.472  -0.672   0.357  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -1.055   0.006   0.864  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1        3.974  -0.507   1.372  0.00  0.00    +0.403 C 
ATOM     24  N   LIG    1        2.918   0.345   1.651  0.00  0.00    -0.266 N 
ATOM     25  C   LIG    1        1.561  -0.188   1.626  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1        0.922  -0.210   0.218  0.00  0.00    +0.088 C 
ATOM     27  C   LIG    1        0.926   1.181  -0.457  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        2.320   1.646  -0.883  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        3.147   2.354   0.194  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        3.053   1.792   1.610  0.00  0.00    +0.111 C 
ATOM     31  O   LIG    1        3.841  -1.710   1.190  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     32  O   LIG    1        5.157   0.157   1.304  0.00  0.00    -0.445 OA
BRANCH  32  34
ATOM     33  C   LIG    1        6.342  -1.149  -0.413  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.390  -0.538   0.992  0.00  0.00    +0.107 C 
ATOM     35  C   LIG    1        7.467   0.557   1.013  0.00  0.00    +0.055 C 
ATOM     36  C   LIG    1        6.732  -1.581   2.061  0.00  0.00    +0.055 C 
ENDBRANCH  32  34
ENDBRANCH  23  32
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5