REMARK  Name = BDB014867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.063   6.134  -1.234  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.867   4.961  -1.057  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.309   3.760  -0.635  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.267   2.665  -0.387  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.566   1.358  -0.288  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.069   0.032  -0.187  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.058  -0.841  -0.103  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.061  -0.102  -0.169  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -0.806   1.228  -0.259  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.765   2.353  -0.343  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.022   3.661   0.005  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        2.069   5.083  -1.294  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.399  -0.230  -0.180  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        3.028   0.554  -0.298  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.120  -1.441  -0.060  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.526  -1.396  -0.133  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.311  -2.554  -0.013  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.804  -2.473  -0.130  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.679  -3.787   0.158  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.290  -3.853   0.232  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.521  -2.690   0.126  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.349  -0.768  -0.129  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.741  -1.141   1.298  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.095  -1.803   1.344  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -4.227  -3.170   1.085  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.494  -3.732   1.117  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1       -6.619  -3.035   1.382  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1       -6.469  -1.717   1.631  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.247  -1.063   1.622  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5