REMARK  Name = BDB013979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.837  -1.082   0.159  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.931   0.150  -0.059  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.404   1.289   0.043  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.414  -0.080  -0.373  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.006  -1.385  -0.305  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.726  -2.254   0.774  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.311  -3.532   0.813  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.175  -3.949  -0.196  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.462  -3.095  -1.253  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.146  -1.824   1.925  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.882  -1.825  -1.305  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.613  -1.704   1.535  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.893  -0.780  -1.182  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.237  -0.662   0.026  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.474   0.163   0.565  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.389  -1.340  -2.156  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.290  -0.117  -1.275  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.987   0.163   0.054  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.402   2.146  -1.713  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.257   1.059  -2.172  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.903   0.737  -3.078  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.169   1.052  -0.945  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.571   1.273  -0.397  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -2.811   1.457   1.000  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.144   1.566   1.450  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.439   1.711   2.819  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.419   1.783   3.762  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.098   1.722   3.343  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.155   1.543   0.498  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1       -4.952   1.465  -0.831  0.00  0.00    -0.259 NA
ATOM     31  C   LIG    1       -1.800   1.567   1.985  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -3.675   1.354  -1.268  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1       -3.539   1.371  -2.765  0.00  0.00    +0.066 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5