REMARK  Name = BDB001120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.102  -4.310   0.219  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.141  -3.083   0.180  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -1.441  -2.343   0.005  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.686  -3.185  -0.044  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.918  -2.406  -0.508  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.969  -1.027   0.139  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -2.723  -0.206  -0.212  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -1.444  -0.994  -0.100  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.214  -0.267  -0.052  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.195   1.071  -0.267  0.00  0.00    +0.103 A 
ATOM     11  N   LIG    1        1.520   1.197  -0.096  0.00  0.00    -0.164 NA
ATOM     12  N   LIG    1        1.966  -0.032   0.286  0.00  0.00    -0.215 N 
ATOM     13  C   LIG    1        0.943  -0.961   0.210  0.00  0.00    +0.145 A 
ATOM     14  N   LIG    1        1.006  -2.336   0.312  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.877  -2.843   0.373  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        3.319  -0.190   0.703  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        3.732  -1.278   1.483  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.070  -1.397   1.871  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.000  -0.429   1.495  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.593   0.671   0.744  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.257   0.796   0.356  0.00  0.00    +0.028 A 
ENDBRANCH  12  16
BRANCH  10  22
ATOM     22  C   LIG    1       -0.588   2.232  -0.661  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -1.116   2.325  -1.955  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -1.870   3.440  -2.325  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.091   4.469  -1.409  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.554   4.388  -0.124  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -0.800   3.275   0.249  0.00  0.00    +0.010 A 
ENDBRANCH  10  22
TORSDOF 2