REMARK  Name = BDB064712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.748   0.269   0.334  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -3.073  -0.026   0.485  0.00  0.00    +0.165 A 
ATOM      3  C   LIG    1       -3.692   0.557  -0.609  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -5.085   0.401  -0.701  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -5.725  -0.278   0.279  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -4.987  -0.800   1.284  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -2.769   1.208  -1.405  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -3.653  -0.726   1.474  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1       -1.610   0.999  -0.816  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -5.843   0.929  -1.738  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -6.811   1.059  -1.478  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.377   1.680  -2.235  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   1  13
ATOM     13  C   LIG    1       -0.686  -0.105   1.246  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.056  -1.446   0.877  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        0.746  -1.339  -0.302  0.00  0.00    -0.489 OA
BRANCH  15  21
ATOM     16  C   LIG    1        5.996   0.864  -0.321  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        4.624   0.258  -0.291  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        3.936   0.001  -1.480  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.644  -0.536  -1.448  0.00  0.00    +0.083 A 
ATOM     20 CL   LIG    1        1.852  -0.822  -2.960  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        2.008  -0.814  -0.228  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        2.696  -0.546   0.959  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.989  -0.008   0.926  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5