REMARK  Name = BDB019749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.607   2.753   0.994  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.928   1.383   0.952  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.995   0.435   1.417  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.240   0.842   1.931  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.535   2.206   1.999  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.378   3.155   1.527  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.254  -0.129   2.430  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.214  -1.392   1.879  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        0.668  -1.544   1.043  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.083   0.224   3.261  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.229  -2.377   2.180  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.271  -2.421   1.091  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.307  -1.472   1.068  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.277  -1.474   0.052  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1        6.367  -0.441   0.070  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        5.191  -2.447  -0.954  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1        6.340  -2.521  -2.242  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        4.160  -3.391  -0.944  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.203  -3.376   0.071  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -2.293   5.001   0.575  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.550   3.604   0.483  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  C   LIG    1       -3.239   0.891   0.379  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.059   0.609  -1.034  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -2.720   1.425  -1.531  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.025  -0.042  -1.717  0.00  0.00    +0.176 C 
ATOM     26  N   LIG    1       -3.863  -0.005  -3.066  0.00  0.00    -0.316 N 
ATOM     27  H   LIG    1       -2.900  -0.115  -3.358  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1       -4.787  -0.970  -3.625  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1       -5.743  -1.195  -2.450  0.00  0.00    +0.163 C 
ATOM     30  N   LIG    1       -5.033  -0.706  -1.237  0.00  0.00    -0.255 NA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7