REMARK  Name = BDB005219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.005  -0.139  -0.818  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.752   0.531  -2.168  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        0.674   0.257  -2.660  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.660   0.102  -1.581  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        1.301   0.878  -0.394  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.024   0.308   0.233  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.706   2.434   0.128  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.232   1.166  -0.536  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -2.383  -0.000  -0.328  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -2.998  -0.973   0.447  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -2.498  -2.015   0.829  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.381  -0.535   0.712  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1       -5.442  -1.144   1.374  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -6.665  -0.439   1.387  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -6.809   0.815   0.769  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.731   1.405   0.118  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.523   0.723   0.099  0.00  0.00    -0.014 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -5.447  -2.461   2.071  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -6.503  -2.975   2.429  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -4.275  -3.098   2.337  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.334  -4.034   2.714  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.391  -2.841   1.900  0.00  0.00    +0.145 HD
ENDBRANCH  13  18
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        3.017   0.393  -2.069  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.112  -0.080  -1.134  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        5.119   0.811  -0.718  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.144   0.361   0.138  0.00  0.00    -0.000 A 
ATOM     27  C   LIG    1        6.139  -0.970   0.551  0.00  0.00    +0.046 A 
ATOM     28  N   LIG    1        7.231  -1.145   1.370  0.00  0.00    -0.361 N 
ATOM     29  H   LIG    1        7.477  -2.017   1.817  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        7.928   0.029   1.487  0.00  0.00    +0.083 A 
ATOM     31  C   LIG    1        5.158  -1.882   0.149  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1        7.278   0.980   0.734  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        4.150  -1.413  -0.701  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 4