REMARK  Name = BDB019769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.875   2.223   0.345  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.190   1.576   0.992  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.370   0.190   0.886  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.537  -0.572   0.143  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.609   0.046  -0.518  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.766   1.438  -0.409  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.716   6.220   1.373  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        2.413   5.618   0.940  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        1.403   6.468   0.651  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1        0.228   5.924   0.271  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        0.009   4.561   0.160  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.054   3.680   0.453  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        2.278   4.234   0.852  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -1.520  -0.430   1.602  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -2.023  -1.592   1.057  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -1.751  -1.849   0.119  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -1.986   0.112   2.597  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.227  -2.204   1.574  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.427  -1.798   0.756  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -4.894  -2.613  -0.288  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -5.996  -2.231  -1.071  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1       -6.469  -3.134  -2.175  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -6.625  -1.007  -0.796  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1       -7.984  -0.463  -1.714  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -6.162  -0.186   0.234  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -5.067  -0.578   1.004  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1        2.592  -0.783  -1.309  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.396  -1.568  -0.393  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        3.768  -1.021   0.374  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.289  -2.456  -0.878  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1        5.136  -2.954   0.059  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1        4.685  -3.161   0.942  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.823  -4.075  -0.550  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        5.546  -3.833  -2.037  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1        4.397  -2.887  -2.098  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7