REMARK  Name = BDB019716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.269   0.694   1.716  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.714   1.021   0.772  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.485   2.189   0.907  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1       -1.267   3.019   2.015  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.296   2.687   2.960  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1       -0.046   3.717   4.316  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1        0.470   1.532   2.818  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.659  -0.988   2.603  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.102  -0.538   1.607  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1        1.227  -1.098   0.354  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        0.897  -0.593  -0.456  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.095  -2.228   0.116  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.428  -1.773  -0.419  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        3.676  -1.744  -1.799  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.908  -1.296  -2.281  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.197  -1.272  -3.978  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        5.901  -0.865  -1.406  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        5.654  -0.883  -0.036  0.00  0.00    +0.043 A 
ATOM     19 CL   LIG    1        6.871  -0.344   1.055  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.428  -1.329   0.460  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.544   2.520  -0.117  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.680   1.639   0.050  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -4.531   2.116   0.319  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.886   0.579  -0.761  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -5.089  -0.024  -0.575  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -5.352  -0.105   0.400  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -5.045  -1.282  -1.293  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -3.843  -1.065  -2.216  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -3.073   0.072  -1.639  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6