REMARK  Name = BDB012213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.069   0.506   0.070  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -2.196  -0.730   0.976  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -0.849  -1.100   1.582  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.202   0.021   2.263  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.007  -0.083   2.938  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.574   0.897   3.425  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.853   1.328   2.153  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -1.224   1.627   0.706  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1       -5.409   1.278  -3.947  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -5.956   1.694  -2.727  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.169   1.538  -1.608  0.00  0.00    +0.068 A 
ATOM     12  N   LIG    1       -5.458   1.865  -0.289  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -6.302   2.281   0.070  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -4.360   1.535   0.516  0.00  0.00    +0.328 A 
ATOM     15  N   LIG    1       -3.379   0.986  -0.343  0.00  0.00    -0.289 N 
ATOM     16  O   LIG    1       -4.289   1.702   1.722  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1       -3.883   0.994  -1.654  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1       -3.328   0.580  -2.846  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -4.106   0.727  -4.004  0.00  0.00    +0.021 A 
BRANCH   9  21
ATOM     20  N   LIG    1       -6.799   1.513  -6.125  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -6.176   1.409  -5.152  0.00  0.00    +0.099 C 
ENDBRANCH   9  21
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  C   LIG    1        1.642  -1.466   2.995  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.009  -1.514   3.688  0.00  0.00    +0.017 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.109  -0.603   3.130  0.00  0.00    +0.075 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.111  -0.529   1.623  0.00  0.00    +0.110 A 
ATOM     26  N   LIG    1        3.438   0.533   1.078  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        2.946   1.185   1.683  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        3.225   0.672  -0.269  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1        2.484   1.529  -0.736  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        3.916  -0.310  -1.121  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        4.625  -1.331  -0.482  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1        5.287  -2.275  -1.269  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        5.240  -2.198  -2.664  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        4.525  -1.174  -3.288  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        3.858  -0.224  -2.516  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1        4.684  -1.449   0.917  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6