REMARK  Name = BDB036980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.463   0.594   0.426  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -2.821   0.293   0.459  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -3.668  -0.360  -0.543  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.927  -0.445  -0.010  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.994   0.178   1.205  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.962   0.373   1.915  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -3.287  -0.723  -1.641  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.641   0.627   1.524  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.167   1.281   2.641  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.806   1.582   2.661  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.969   1.233   1.576  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -6.075  -0.904  -0.775  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -6.821   0.306  -1.348  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -6.305   1.408  -1.527  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -8.124   0.076  -1.731  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -8.615   0.869  -2.122  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.878  -1.051  -1.519  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1      -10.056  -1.099  -1.862  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.167  -2.237  -0.908  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -7.038  -1.792   0.009  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.659   0.164  -0.625  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -1.210  -0.087  -1.454  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.597   0.830  -0.948  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.772   0.038  -0.379  0.00  0.00    +0.037 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.096   0.701  -0.733  0.00  0.00    +0.109 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.449   0.535  -0.062  0.00  0.00    +0.401 C 
ATOM     27  N   LIG    1        4.215  -0.032  -0.189  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        4.221  -1.042  -0.205  0.00  0.00    +0.152 HD
ATOM     29  O   LIG    1        5.695   1.718  -0.226  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  O   LIG    1        6.337  -0.433   0.256  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.934   0.841   1.633  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.739  -0.117   0.452  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        8.374   0.423  -0.834  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        8.398  -1.461   0.798  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8