REMARK  Name = BDB026439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040   0.754   0.703  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.707   0.452  -1.626  0.00  0.00    -0.252 OA
ATOM      3  C   LIG    1        2.130   0.876  -0.564  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1        1.400   0.980   0.617  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        2.134   1.745   1.601  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.569   1.686   1.088  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1        3.402   1.380  -0.316  0.00  0.00    -0.280 N 
BRANCH   7   8
ATOM      8  C   LIG    1        4.503   1.270  -1.248  0.00  0.00    +0.146 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.362   0.064  -0.992  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1        4.917  -1.214  -1.325  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        5.630  -2.344  -1.118  0.00  0.00    -0.243 NA
ATOM     12  C   LIG    1        6.841  -2.190  -0.548  0.00  0.00    +0.129 A 
ATOM     13 CL   LIG    1        7.709  -3.649  -0.303  0.00  0.00    -0.062 Cl
ATOM     14  C   LIG    1        7.381  -0.973  -0.173  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        6.624   0.174  -0.399  0.00  0.00    +0.009 A 
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.854   1.810  -0.073  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.867   1.550  -1.484  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.004   1.145  -1.721  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.308   1.927   0.443  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.039   0.656   0.647  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.250  -0.052  -0.637  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.187  -1.241  -0.537  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.071  -1.384   0.545  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.941  -2.482   0.597  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.952  -3.420  -0.434  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.091  -3.272  -1.520  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.035  -0.389   1.675  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -4.215  -2.188  -1.573  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.345   0.921   1.275  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7