REMARK  Name = BDB023002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.179   1.762   1.377  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.171   2.128   1.349  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.559   3.307   2.103  0.00  0.00    +0.085 C 
ATOM      4  C   LIG    1        1.999   3.746   2.195  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        2.992   2.924   1.442  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.640   1.758   0.787  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1        3.522   1.003   0.086  0.00  0.00    -0.217 NA
ATOM      8  C   LIG    1        4.796   1.417   0.020  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        5.233   2.533   0.621  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        4.326   3.253   1.312  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        1.298   3.190   3.408  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1        1.232   1.215   0.884  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -2.013   2.443   1.981  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.929  -0.066   1.140  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -1.611   0.525   0.577  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -1.727   0.893  -0.910  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -2.995   1.688  -1.222  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -4.184   0.930  -0.830  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.400   1.644  -1.221  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.189   0.673   0.622  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -3.882  -4.223  -1.642  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.412  -3.594  -0.364  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -3.415  -2.198  -0.222  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.958  -1.584   0.954  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -2.470  -2.405   1.985  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.449  -3.793   1.847  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.914  -4.385   0.675  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   8  28
ATOM     28  N   LIG    1        5.766   0.704  -0.684  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        6.637   1.211  -0.584  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.705  -0.438  -1.396  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        4.627  -1.252  -1.639  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        5.094  -2.276  -2.411  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        4.334  -3.389  -2.926  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        6.409  -2.186  -2.689  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        6.778  -1.061  -2.067  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 4