REMARK  Name = BDB060340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.554   0.463   0.625  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -4.452  -0.273   0.230  0.00  0.00    -0.226 N 
ATOM      3  C   LIG    1       -4.872  -1.402  -0.450  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -3.885  -2.287  -0.940  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -2.594  -2.016  -0.724  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.272  -0.776   0.037  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -6.247  -1.384  -0.492  0.00  0.00    +0.069 A 
ATOM      8 CL   LIG    1       -7.282  -2.526  -1.206  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1       -3.151   0.071   0.485  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1       -6.677  -0.222   0.176  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.827  -0.500   0.266  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        0.065  -1.518   0.619  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.414  -1.222   0.836  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.886   0.092   0.704  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        0.979   1.108   0.367  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -0.369   0.817   0.152  0.00  0.00    +0.010 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.346   0.417   0.956  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.979   1.118  -0.175  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        4.202   0.236  -1.331  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.522  -0.477  -1.071  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        6.258   0.404  -0.070  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        5.329   1.583   0.176  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -4.342   2.206   1.722  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.488   1.700   1.506  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -4.308   3.052   2.271  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -5.555   1.704   1.363  0.00  0.00    +0.260 C 
ATOM     27  O   LIG    1       -6.576   2.310   1.678  0.00  0.00    -0.269 OA
ENDBRANCH   1  26
TORSDOF 4