REMARK  Name = BDB014013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.558   0.593   0.233  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.857   0.859  -1.111  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.025   0.092  -2.070  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.093   1.889  -1.127  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.403   3.239  -1.175  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.227   3.753  -0.156  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.685   5.084  -0.237  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.337   5.903  -1.307  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.522   5.406  -2.312  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.602   2.959   1.067  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        0.059   4.090  -2.244  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.433   1.738   0.713  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.709  -1.426   1.127  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.356  -0.624   0.057  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.309  -1.046  -0.867  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.468  -1.121   2.291  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.400  -2.742   0.693  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.769  -3.583   1.911  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.993  -3.496  -0.992  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.604  -2.409  -0.105  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.418  -1.573  -0.659  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.298   1.581  -1.908  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.102   0.447  -1.281  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -2.805   0.591  -0.054  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -3.512  -0.526   0.479  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -4.220  -0.352   1.689  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.234   0.862   2.376  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.538   1.943   1.866  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.502  -1.780  -0.200  0.00  0.00    -0.037 A 
ATOM     30  C   LIG    1       -2.812  -1.867  -1.420  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.837   1.809   0.668  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.121  -0.783  -1.949  0.00  0.00    +0.006 A 
BRANCH  29  33
ATOM     33  C   LIG    1       -4.231  -3.009   0.327  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -3.742  -3.691   1.587  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -3.589  -4.379   0.268  0.00  0.00    +0.009 C 
ENDBRANCH  29  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6