REMARK  Name = BDB036415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069  -1.782   2.025  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.796  -1.706   0.938  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1        1.451  -0.514   0.315  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        2.197  -1.099  -0.793  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.114  -2.482  -0.810  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.681  -3.258  -1.555  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.190  -2.863   0.264  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        0.748  -4.124   0.615  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.133  -4.216   1.691  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.539  -3.060   2.385  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        3.199  -0.365  -1.553  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.443  -0.042  -0.707  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.712  -0.575   0.367  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.288   0.905  -1.241  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.102   1.119  -0.680  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.980   1.833  -2.204  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.717   2.791  -2.418  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.719   1.590  -2.999  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        2.648   0.928  -2.147  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.510  -0.555   2.774  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -1.416   1.334   1.450  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1       -1.573   0.118   2.069  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -2.439  -0.386   1.913  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -0.365   1.967   1.503  0.00  0.00    -0.270 OA
BRANCH  21  26
ATOM     25  C   LIG    1       -3.729   1.132   0.328  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1       -2.588   1.879   0.689  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1       -2.502   3.232   0.307  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -3.531   3.843  -0.407  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.660   3.109  -0.748  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.761   1.764  -0.383  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.761  -1.013   0.086  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.782  -0.187   0.708  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
ENDBRANCH  21  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5