REMARK  Name = BDB021560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.132  -0.075  -1.342  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -2.823   1.975  -0.531  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -3.148   0.828  -0.231  0.00  0.00    +0.247 C 
ATOM      4  N   LIG    1       -2.347  -0.272  -0.538  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -2.515  -1.552   0.144  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -3.675  -2.362  -0.427  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -4.910  -1.530  -0.768  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -5.248  -0.511   0.290  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -6.425  -0.652   1.044  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -6.772   0.310   1.995  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -8.218   0.120   2.909  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -5.963   1.424   2.205  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -4.790   1.575   1.465  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.420   0.607   0.520  0.00  0.00    +0.040 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.054   0.457  -0.506  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.090   1.871  -0.295  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -1.050   2.077  -0.278  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        1.394   0.197  -1.241  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.586   0.107  -0.364  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.766  -0.242  -1.183  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        5.074  -0.227  -0.422  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        5.203   0.501   0.771  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        6.433   0.532   1.441  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.538  -0.137   0.915  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.420  -0.845  -0.279  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.001   1.191   1.361  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        6.196  -0.887  -0.947  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.850   1.364   0.357  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5