REMARK  Name = BDB002196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144  -0.567  -1.381  0.00  0.00    +0.107 A 
ATOM      2  C   LIG    1        0.598  -1.321  -0.476  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        0.082  -2.257   0.569  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        2.000  -1.063  -0.734  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        2.049  -0.196  -1.823  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        3.173   0.468  -2.539  0.00  0.00    +0.064 C 
ATOM      7  N   LIG    1        0.759   0.035  -2.225  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1        0.475   0.621  -3.003  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -2.349  -0.560  -0.448  0.00  0.00    -0.202 N 
ATOM     10  H   LIG    1       -1.859  -0.524   0.439  0.00  0.00    +0.178 HD
ATOM     11  C   LIG    1       -1.570  -0.360  -1.583  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -2.001   0.026  -2.667  0.00  0.00    -0.267 OA
BRANCH   9  14
ATOM     13  C   LIG    1       -4.443  -0.526  -1.359  0.00  0.00    +0.138 C 
ATOM     14  N   LIG    1       -3.687  -0.266  -0.340  0.00  0.00    -0.187 NA
BRANCH  13  17
ATOM     15  C   LIG    1       -7.851   0.687  -0.265  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -6.487   0.396  -0.243  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -5.886  -0.206  -1.357  0.00  0.00    -0.002 A 
ATOM     18  C   LIG    1       -6.640  -0.516  -2.492  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -8.003  -0.225  -2.513  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -8.602   0.373  -1.402  0.00  0.00    +0.045 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.845   1.619   1.923  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -8.565   1.269   0.747  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  17
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  C   LIG    1        3.132  -1.608   0.041  0.00  0.00    +0.265 C 
ATOM     24  N   LIG    1        4.325  -1.694  -0.677  0.00  0.00    -0.203 N 
ATOM     25  H   LIG    1        4.186  -1.805  -1.676  0.00  0.00    +0.178 HD
ATOM     26  O   LIG    1        2.991  -1.981   1.203  0.00  0.00    -0.268 OA
BRANCH  24  27
ATOM     27  N   LIG    1        5.399  -2.412  -0.215  0.00  0.00    -0.187 NA
ATOM     28  C   LIG    1        5.947  -2.102   0.926  0.00  0.00    +0.138 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.759  -0.918   1.791  0.00  0.00    -0.002 A 
ATOM     30  C   LIG    1        5.566   0.361   1.256  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        5.439   1.456   2.112  0.00  0.00    +0.121 A 
ATOM     32  C   LIG    1        5.536   1.265   3.494  0.00  0.00    +0.045 A 
ATOM     33  C   LIG    1        5.747  -0.008   4.025  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        5.865  -1.103   3.172  0.00  0.00    +0.010 A 
BRANCH  31  35
ATOM     35  O   LIG    1        5.244   2.756   1.730  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1        4.900   2.975   0.368  0.00  0.00    +0.277 C 
ENDBRANCH  31  35
ENDBRANCH  28  29
ENDBRANCH  24  27
ENDBRANCH   4  23
TORSDOF 8