REMARK  Name = BDB051022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778   0.689   1.464  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -0.487   1.089   1.021  0.00  0.00    +0.075 A 
ATOM      3 CL   LIG    1       -0.378   2.388  -0.139  0.00  0.00    -0.081 Cl
ATOM      4  C   LIG    1        0.688   0.494   1.539  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        0.561  -0.497   2.538  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.714  -0.866   2.942  0.00  0.00    +0.137 A 
ATOM      7  O   LIG    1       -0.654  -1.842   3.889  0.00  0.00    -0.463 OA
ATOM      8  C   LIG    1        0.660  -2.102   4.108  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1        1.446  -1.310   3.305  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.890  -0.317   2.441  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.061   0.850   1.104  0.00  0.00    +0.246 C 
ATOM     12  N   LIG    1        2.269   0.937  -0.253  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.485   0.861  -0.888  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        2.950   0.978   1.936  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.560   1.274  -0.821  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.266   0.061  -1.350  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        5.464   0.358  -2.199  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        5.820   1.506  -2.443  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        6.143  -0.726  -2.701  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.951  -0.503  -3.268  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.798  -2.038  -2.475  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        6.660  -3.089  -3.101  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        4.724  -2.307  -1.717  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        3.947  -1.231  -1.146  0.00  0.00    +0.012 A 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   4  11
BRANCH   1  25
ATOM     25  N   LIG    1       -2.943   1.277   0.913  0.00  0.00    -0.326 N 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.415   0.589  -0.314  0.00  0.00    +0.078 C 
ATOM     27  C   LIG    1       -4.375  -0.574  -0.025  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.327  -0.812  -1.192  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1       -4.678  -0.515  -2.422  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -4.422   0.882  -2.589  0.00  0.00    +0.161 C 
ATOM     31  C   LIG    1       -4.048   1.586  -1.286  0.00  0.00    +0.050 C 
ENDBRANCH  25  26
BRANCH  25  33
ATOM     32  C   LIG    1       -3.399   3.060   2.553  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -3.931   1.810   1.865  0.00  0.00    +0.102 C 
ENDBRANCH  25  33
ENDBRANCH   1  25
TORSDOF 6