REMARK  Name = BDB021950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.182   1.090  -0.474  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.070   1.620  -0.124  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.074   0.680  -0.044  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.935  -0.128  -0.632  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.238   2.824   0.053  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.773  -2.701   0.507  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -2.567  -1.804   1.651  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.294  -0.350   1.241  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.601  -0.291  -0.127  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -2.453  -0.978  -1.210  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.401  -2.034  -0.629  0.00  0.00    +0.086 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.888  -3.919   1.219  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -3.401  -3.973   0.877  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.380   0.864   0.454  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        3.321  -0.140   0.188  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        4.636  -0.039   0.664  0.00  0.00    +0.163 A 
ATOM     17  C   LIG    1        5.016   1.082   1.427  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1        4.072   2.074   1.701  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.763   1.963   1.221  0.00  0.00    +0.027 A 
BRANCH  16  20
ATOM     20  O   LIG    1        5.616  -0.976   0.443  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        5.285  -2.109  -0.346  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
BRANCH  17  22
ATOM     22  O   LIG    1        6.319   1.108   1.857  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        6.746   2.247   2.590  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   3  14
BRANCH   1  24
ATOM     24  C   LIG    1       -2.232   2.077  -0.756  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.158   2.496  -2.183  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1       -3.156   2.058  -3.007  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1       -2.898   2.556  -4.243  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1       -1.752   3.314  -4.229  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -1.274   3.280  -2.898  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7