REMARK  Name = BDB022991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.827  -0.955  -0.864  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.133   0.248  -1.026  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -0.656   0.628  -2.394  0.00  0.00    +0.036 C 
ATOM      4  C   LIG    1       -1.732   0.394  -3.482  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1       -0.351   2.151  -2.453  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        0.628  -0.176  -2.734  0.00  0.00    +0.064 C 
ATOM      7  C   LIG    1        1.597  -0.224  -1.584  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        1.233   0.089  -0.284  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        2.102   0.026   0.750  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        3.349  -0.390   0.491  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        3.782  -0.719  -0.730  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1        2.897  -0.641  -1.741  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -0.170   0.571   0.032  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1       -1.733  -1.884  -1.669  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1       -4.204  -1.682   4.024  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -3.443  -0.722   3.228  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -4.252  -0.191   2.118  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -3.429   0.167   0.861  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -2.744  -1.122   0.355  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.086  -1.934   1.483  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -2.128  -1.234   2.842  0.00  0.00    +0.085 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.303   0.853  -0.182  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -4.094   2.212  -0.470  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.875   2.870  -1.421  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.879   2.182  -2.097  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.104   0.836  -1.819  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.324   0.176  -0.866  0.00  0.00    +0.004 A 
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  10  28
ATOM     28  N   LIG    1        4.183  -0.443   1.587  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.748   0.112   2.315  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.630  -0.305   1.466  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.297  -1.540   0.865  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.816  -1.385   0.893  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.253  -0.023   0.865  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.411   0.808   0.074  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        6.066   0.989   0.767  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  10  28
TORSDOF 4