REMARK  Name = BDB022900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.607  -2.381   3.256  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.260  -1.655   2.227  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.419  -1.280   0.972  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.639  -0.594   1.028  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.146  -0.275   2.104  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.555  -0.961  -0.082  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.540   0.096   0.386  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.752   0.307   1.743  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.674   1.282   2.045  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.359   1.973   1.117  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.104   1.689  -0.169  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.216   0.770  -0.569  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.981  -0.426   2.810  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.352  -0.285  -0.301  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.653   0.529  -0.063  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.807  -0.372   0.448  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.999  -1.611  -0.328  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.084  -2.409   0.245  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.765  -2.394  -0.402  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.650  -1.584  -1.064  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.982   1.394  -1.282  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.869   0.997  -2.291  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.119   1.822  -3.392  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.482   3.055  -3.503  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.594   3.465  -2.514  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.345   2.642  -1.414  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.751   2.377  -1.185  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        3.641   1.796  -2.011  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.157   2.643  -0.913  0.00  0.00    +0.161 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.080   1.459  -0.975  0.00  0.00    +0.076 A 
ATOM     31  N   LIG    1        6.205   0.722  -2.137  0.00  0.00    -0.239 NA
ATOM     32  C   LIG    1        7.059  -0.236  -1.855  0.00  0.00    +0.199 A 
ATOM     33  N   LIG    1        7.487  -0.154  -0.562  0.00  0.00    -0.340 N 
ATOM     34  C   LIG    1        8.420  -1.046   0.076  0.00  0.00    +0.150 C 
ATOM     35  C   LIG    1        6.874   0.919   0.017  0.00  0.00    +0.111 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5