REMARK  Name = BDB026738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.614   0.059  -0.176  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1        0.274  -0.495   0.087  0.00  0.00    +0.139 C 
ATOM      3  C   LIG    1       -0.751   0.656   0.302  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1       -0.803   1.514  -0.850  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1        0.479   2.058  -1.175  0.00  0.00    +0.215 C 
ATOM      6  C   LIG    1        1.770   1.248  -0.879  0.00  0.00    +0.246 C 
ATOM      7  O   LIG    1        2.867   1.669  -1.242  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.139  -1.527  -0.963  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        0.015  -1.310  -2.342  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.394  -2.275  -3.268  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.963  -3.465  -2.827  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.470  -4.648  -3.968  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.125  -3.702  -1.466  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.715  -2.740  -0.540  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.149   0.191   0.659  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -2.467  -0.094   1.997  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.742  -0.548   2.338  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.108  -0.896   3.983  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.716  -0.727   1.360  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.412  -0.451   0.028  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.139   0.003  -0.320  0.00  0.00    +0.006 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.788  -0.762   0.134  0.00  0.00    +0.111 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.004   0.945   1.610  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        3.446  -0.474   1.501  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        2.520  -0.766   2.682  0.00  0.00    +0.009 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   5  26
ATOM     26  C   LIG    1        0.578   3.442  -0.536  0.00  0.00    +0.161 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.278   4.433  -1.280  0.00  0.00    +0.308 C 
ATOM     28  O   LIG    1        0.116   5.534  -1.634  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -1.554   4.028  -1.470  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -1.728   3.112  -1.155  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7