REMARK  Name = BDB036988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   1.562   0.030  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.927   1.031  -0.138  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.523  -0.296   0.120  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        3.834  -0.244  -0.280  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        4.172   0.998  -0.717  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        5.250   1.403  -1.107  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        1.977  -1.252   0.637  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.964   1.811  -0.647  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.819   3.134  -1.018  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.557   3.691  -0.871  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.496   2.915  -0.361  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.752  -1.369  -0.160  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.386  -1.661  -1.519  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.718  -1.891  -2.526  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.755  -1.602  -1.590  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.150  -1.782  -2.503  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.607  -0.980  -0.715  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.784  -0.790  -1.013  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.024  -0.497   0.591  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.767  -1.256   0.975  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  23
ATOM     21  C   LIG    1       -2.040   0.028   1.566  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -0.567  -0.325   1.294  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1       -0.480   0.871   0.508  0.00  0.00    -0.326 N 
ATOM     24  C   LIG    1       -1.646   1.448   1.131  0.00  0.00    +0.129 C 
BRANCH  21  26
ATOM     25  C   LIG    1       -4.339  -0.322   0.670  0.00  0.00    +0.401 C 
ATOM     26  N   LIG    1       -3.016  -0.645   0.681  0.00  0.00    -0.275 N 
ATOM     27  H   LIG    1       -2.718  -1.250  -0.073  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1       -4.861   0.484   1.425  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -4.953  -1.023  -0.308  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.712   0.564  -0.985  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.375  -0.867  -0.550  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.199  -1.305   0.665  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.678  -1.818  -1.718  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  21  26
ENDBRANCH   1  23
TORSDOF 5