REMARK  Name = BDB022223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.099  -1.448  -0.680  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.275  -1.383  -0.106  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.964  -2.571   0.204  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.246  -2.490   0.772  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.855  -1.254   1.007  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.207  -0.066   0.683  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.365  -3.834  -0.087  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.071  -5.068   0.218  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.867  -3.925  -0.708  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.413  -4.979  -1.031  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.926  -0.149   0.118  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.581  -2.662  -0.980  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.790  -0.258  -0.871  0.00  0.00    -0.335 N 
ATOM     14  H   LIG    1       -1.532   0.485  -0.221  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.189  -0.079  -1.287  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -3.233  -0.019  -2.817  0.00  0.00    +0.034 C 
BRANCH  15  21
ATOM     17  C   LIG    1       -6.419   3.497   0.481  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -5.319   2.619   0.045  0.00  0.00    +0.135 A 
ATOM     19  O   LIG    1       -4.059   3.070   0.281  0.00  0.00    -0.360 OA
ATOM     20  N   LIG    1       -3.142   2.141  -0.177  0.00  0.00    -0.081 NA
ATOM     21  C   LIG    1       -3.868   1.137  -0.694  0.00  0.00    +0.104 A 
ATOM     22  C   LIG    1       -5.255   1.394  -0.570  0.00  0.00    +0.072 A 
ENDBRANCH  15  21
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.802   1.200   0.843  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.120   1.944   0.982  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.157   1.602   0.860  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.582   2.712   1.614  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.936   3.021   1.618  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.598   4.348   2.496  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.881   2.325   0.947  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        6.457   1.267   0.232  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        5.131   0.872   0.166  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        3.652   3.497   2.361  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        2.859   4.116   2.941  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6