REMARK  Name = BDB022797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -1.136   0.110  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -0.026  -0.749   1.383  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1        1.389  -1.276   1.306  0.00  0.00    +0.034 C 
ATOM      4  C   LIG    1        1.519  -2.020  -0.008  0.00  0.00    +0.154 C 
ATOM      5  C   LIG    1        0.425  -1.794   2.365  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1        0.374  -1.470  -0.897  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.984   1.124  -0.695  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.586   1.012  -0.713  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.495   1.828  -1.118  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.333   1.133  -0.858  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -1.676  -0.092  -0.332  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -3.046  -0.170  -0.223  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1       -3.737  -1.209   0.277  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.061  -0.988   0.238  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -5.713   0.104  -0.205  0.00  0.00    -0.220 NA
BRANCH   7  16
ATOM     16  N   LIG    1       -5.671   2.245  -1.135  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -5.161   3.114  -1.063  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.621   2.245  -0.782  0.00  0.00    +0.144 HD
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  O   LIG    1        1.309  -3.423   0.197  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.904  -3.704   0.914  0.00  0.00    +0.210 HD
ENDBRANCH   4  19
BRANCH   6  21
ATOM     21  O   LIG    1       -0.021  -2.449  -1.857  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1        0.094  -3.314  -1.409  0.00  0.00    +0.210 HD
ENDBRANCH   6  21
BRANCH   3  23
ATOM     23  C   LIG    1        2.556  -0.425   1.768  0.00  0.00    +0.154 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.970   0.621   0.745  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1        2.230   1.813   0.646  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.561   2.800  -0.292  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        1.578   4.219  -0.342  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.649   2.609  -1.145  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        4.117   3.775  -2.329  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        4.401   1.437  -1.051  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.067   0.453  -0.113  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        3.634  -1.279   2.138  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1        3.849  -1.851   1.386  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   3  23
TORSDOF 7