REMARK  Name = BDB054827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.435  -2.023   1.554  0.00  0.00    -0.231 N 
ATOM      2  C   LIG    1       -1.206  -2.451   1.049  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -1.207  -3.827   1.186  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.397  -4.159   1.867  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1       -3.109  -3.056   2.134  0.00  0.00    -0.159 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.108  -1.624   0.556  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.532  -0.711   1.399  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.589   0.076   0.926  0.00  0.00    +0.045 A 
ATOM      9 CL   LIG    1        2.279   1.203   2.044  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        2.050  -0.048  -0.400  0.00  0.00    -0.026 A 
ATOM     11  C   LIG    1        1.396  -0.975  -1.233  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        0.339  -1.760  -0.759  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1        3.181   0.817  -0.946  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        2.622   2.127  -1.538  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1        3.560   2.789  -2.554  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1        5.024   2.486  -2.262  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.317   0.985  -2.304  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        4.102   0.116  -1.960  0.00  0.00    +0.008 C 
ENDBRANCH  10  13
ENDBRANCH   2   6
BRANCH   1  21
ATOM     19  C   LIG    1       -3.241   1.552   0.704  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -2.616   0.298   0.693  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1       -3.053  -0.732   1.535  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1       -4.159  -0.497   2.367  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -4.785   0.751   2.379  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.323   1.777   1.554  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.269   3.764  -0.169  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.704   2.460  -0.168  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  21
BRANCH   4  27
ATOM     27  C   LIG    1       -2.813  -5.504   2.269  0.00  0.00    +0.357 C 
ATOM     28  O   LIG    1       -2.180  -6.529   2.048  0.00  0.00    -0.243 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -3.992  -5.577   2.933  0.00  0.00    -0.476 OA
ATOM     30  H   LIG    1       -4.098  -6.531   3.114  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 6