REMARK  Name = BDB057990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.022   2.591   0.248  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -1.305   2.247  -0.180  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1       -2.147   3.310  -0.076  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1       -1.398   4.361   0.282  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -0.061   3.953   0.492  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.292   0.001   1.004  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.124  -0.117   1.754  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.036   0.729   1.503  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.104   1.697   0.494  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.284   1.829  -0.242  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.367   0.982   0.012  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1        4.425  -0.749   1.140  0.00  0.00    -0.489 OA
BRANCH  12  14
ATOM     13  C   LIG    1        4.829  -1.451   3.422  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        4.416  -1.880   2.017  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1        5.430  -2.876   1.458  0.00  0.00    +0.051 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.819   1.014  -0.694  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1       -3.211   0.854  -0.804  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -3.759  -0.333  -1.301  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -2.934  -1.386  -1.712  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1       -1.546  -1.215  -1.623  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -0.993  -0.028  -1.125  0.00  0.00    +0.028 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.504  -2.683  -2.257  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -4.290  -2.452  -3.550  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -4.365  -3.401  -1.215  0.00  0.00    +0.012 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  25
ATOM     25  C   LIG    1       -1.984   5.705   0.447  0.00  0.00    +0.357 C 
ATOM     26  O   LIG    1       -3.181   5.930   0.572  0.00  0.00    -0.243 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.083   6.730   0.449  0.00  0.00    -0.476 OA
ATOM     28  H   LIG    1       -0.179   6.452   0.223  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7