REMARK  Name = BDB019700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808   1.706   0.223  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -0.490   1.980   0.109  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.379   1.135   0.709  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.000  -0.000   1.416  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.361  -0.290   1.526  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -2.272   0.591   0.924  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.647   4.701   0.627  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.660   4.040  -0.264  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.725   2.644  -0.451  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -3.706   2.146  -1.326  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.561   3.028  -1.966  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -4.514   4.362  -1.803  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -3.564   4.835  -0.969  0.00  0.00    +0.114 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.826   1.473   0.572  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        2.624   0.450   0.090  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.169  -0.309  -0.399  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.252   2.583   0.869  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.003   0.721  -0.243  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.736  -0.563  -0.523  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.175  -1.371   0.538  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        5.831  -2.582   0.290  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        6.332  -3.517   1.653  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.050  -2.997  -1.027  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        6.848  -4.480  -1.412  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.610  -2.201  -2.088  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.954  -0.993  -1.839  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -1.833  -1.493   2.304  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.659  -2.379   1.498  0.00  0.00    -0.330 N 
ATOM     29  C   LIG    1       -2.237  -3.251   0.520  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1       -0.822  -3.424   0.105  0.00  0.00    +0.086 C 
ATOM     31  N   LIG    1       -3.264  -3.898   0.006  0.00  0.00    -0.241 NA
ATOM     32  C   LIG    1       -4.369  -3.454   0.680  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -4.018  -2.514   1.617  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6