REMARK  Name = BDB036991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.005  -1.230   2.596  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.575  -1.191   1.330  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.554  -0.137   0.313  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        2.216  -0.625  -0.781  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        2.721  -1.873  -0.543  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        3.418  -2.567  -1.258  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        1.033   0.954   0.461  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.288  -2.252   0.799  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.507  -3.418   1.504  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.977  -3.484   2.793  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.243  -2.403   3.331  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.510   0.184  -1.952  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.949   0.704  -1.869  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.578   0.821  -0.820  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.500   1.119  -3.062  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.442   1.481  -3.009  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.972   0.996  -4.323  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        4.593   1.382  -5.310  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.574   0.430  -4.422  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.288  -0.534  -3.280  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        0.305  -0.134   3.119  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.196   0.581   2.386  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -2.264  -0.061   0.488  0.00  0.00    +0.403 C 
ATOM     24  N   LIG    1       -2.431   0.144   1.845  0.00  0.00    -0.266 N 
ATOM     25  C   LIG    1       -2.053  -0.898   2.795  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1       -0.983  -0.395   3.789  0.00  0.00    +0.088 C 
ATOM     27  C   LIG    1       -1.466   0.914   4.447  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -1.931   1.959   3.424  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -2.939   1.379   2.433  0.00  0.00    +0.111 C 
ATOM     30  O   LIG    1       -1.768  -1.075   0.011  0.00  0.00    -0.226 OA
BRANCH  23  31
ATOM     31  O   LIG    1       -2.733   0.979  -0.247  0.00  0.00    -0.445 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -3.332   2.291  -2.120  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -2.704   0.954  -1.696  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1       -3.564  -0.186  -2.252  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -1.269   0.900  -2.227  0.00  0.00    +0.055 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5