REMARK  Name = BDB013755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -2.467   0.602  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.732   0.465  -0.656  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.486   0.412  -1.292  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.532  -0.529  -0.897  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1        0.806  -1.438   0.139  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        2.057  -1.378   0.774  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.013  -0.436   0.379  0.00  0.00    +0.015 A 
BRANCH   2   8
ATOM      8  C   LIG    1        3.712   1.486  -1.116  0.00  0.00    +0.339 C 
ATOM      9  O   LIG    1        3.497   2.263  -2.033  0.00  0.00    -0.245 OA
BRANCH   8  10
ATOM     10  O   LIG    1        4.848   1.422  -0.377  0.00  0.00    -0.458 OA
BRANCH  10  12
ATOM     11  C   LIG    1        7.203   1.771  -0.254  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1        5.879   2.367  -0.716  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.608   3.692  -0.012  0.00  0.00    +0.052 C 
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  N   LIG    1       -0.761  -3.273  -0.556  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        0.335  -3.992  -1.229  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -1.767  -4.262  -0.155  0.00  0.00    +0.105 C 
ENDBRANCH   1  14
BRANCH   1  17
ATOM     17  C   LIG    1       -1.317  -1.672   1.458  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.887  -2.494   2.616  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -2.412  -1.204   0.609  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -2.349  -1.542  -0.356  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.987   0.045   0.738  0.00  0.00    +0.166 A 
ATOM     22  C   LIG    1       -3.617   0.625  -0.476  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -4.227   1.852  -0.380  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1       -4.809   2.386  -1.531  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -4.744   1.664  -2.722  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.098   0.435  -2.720  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -4.235   2.550   0.906  0.00  0.00    +0.276 A 
ATOM     28  O   LIG    1       -4.811   3.632   0.988  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.569   1.924   1.956  0.00  0.00    -0.230 N 
ATOM     30  C   LIG    1       -3.542   2.539   3.270  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -3.526  -0.110  -1.624  0.00  0.00    -0.251 NA
ATOM     32  N   LIG    1       -2.978   0.685   1.873  0.00  0.00    -0.151 NA
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8