REMARK  Name = BDB020609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169  -0.886   1.254  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.211  -0.381   1.156  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        1.476   0.952   1.812  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.151  -1.156   0.537  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1        1.754  -2.447   0.086  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        0.457  -2.943   0.218  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.400  -4.216  -0.308  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.690  -4.528  -0.768  0.00  0.00    +0.059 A 
ATOM      9 CL   LIG    1        2.143  -5.992  -1.495  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        2.500  -3.446  -0.515  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -0.519  -2.110   0.820  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -1.573   1.039   1.056  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.075   1.191   0.186  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -1.303  -0.082   1.798  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -1.943  -0.443   2.778  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -2.727   1.872   1.298  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -6.791   0.602  -2.665  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1       -5.800   0.874  -1.577  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1       -4.659   1.552  -1.924  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.510   1.839  -2.883  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -3.648   1.866  -1.052  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1       -2.633   2.445  -1.433  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -3.837   1.454   0.379  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -4.966   0.788   0.713  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -5.311   0.288   2.089  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.967   0.490  -0.303  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1        3.614  -0.734   0.296  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        4.405  -1.050   1.581  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1        3.755   0.666  -0.189  0.00  0.00    -0.290 NA
ATOM     30  C   LIG    1        3.034   0.859  -1.479  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1        3.596   2.026  -2.304  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        4.955   1.804  -2.705  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        5.702   1.038  -1.751  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        5.148   1.147  -0.322  0.00  0.00    +0.113 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5