REMARK  Name = BDB019907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.322   1.788  -0.250  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.125   1.403  -0.875  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.424   0.128  -0.675  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.240  -0.786   0.150  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.435  -0.429   0.793  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.963   0.856   0.585  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.150   6.110   1.507  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -2.782   5.214   0.362  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -2.995   5.685  -0.887  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -2.654   4.882  -1.915  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -2.109   3.618  -1.760  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.893   3.127  -0.469  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -2.241   3.954   0.607  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.693  -0.212  -1.380  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.459  -1.216  -0.828  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.234  -1.564   0.093  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.023   0.413  -2.383  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.760  -1.552  -1.359  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.849  -0.849  -0.590  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.501  -1.487   0.476  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.495  -0.821   1.204  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        7.251  -1.681   2.499  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.840   0.493   0.874  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        8.055   1.376   1.730  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.188   1.138  -0.180  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.197   0.472  -0.905  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.151  -1.429   1.675  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.758  -2.481   0.891  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -2.162  -3.724   0.666  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -1.026  -4.126   1.114  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -0.865  -5.079   0.785  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -3.072  -4.399  -0.156  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -2.852  -5.694  -0.748  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -4.145  -3.563  -0.443  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -3.957  -2.401   0.196  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6