REMARK  Name = BDB014359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498   0.507  -0.810  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1       -0.659  -0.874  -1.331  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.842  -1.512  -1.660  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1       -1.556  -2.740  -2.172  0.00  0.00    -0.356 OA
ATOM      5  N   LIG    1       -0.200  -2.948  -2.168  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1        0.354  -1.843  -1.642  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.297  -1.185  -1.612  0.00  0.00    +0.187 C 
ATOM      8  O   LIG    1       -3.439   0.154  -1.128  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -4.804   0.611  -1.140  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -5.639  -0.275  -0.201  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -5.519  -1.743  -0.591  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.054  -2.149  -0.695  0.00  0.00    +0.040 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.831   2.132  -0.787  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -4.214   2.410   0.598  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -6.271   2.678  -0.810  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -4.013   2.912  -1.839  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        1.815  -1.773  -1.473  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        2.208  -1.188  -0.287  0.00  0.00    -0.274 N 
ATOM     19  H   LIG    1        1.483  -0.801   0.308  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.582  -2.189  -2.333  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.471  -0.949   0.182  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.644   0.001   1.323  0.00  0.00    +0.289 A 
ATOM     23  O   LIG    1        2.700   0.485   1.929  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1        5.012   0.145   1.545  0.00  0.00    -0.246 N 
ATOM     25  N   LIG    1        5.693  -0.774   0.695  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.904  -0.231   0.066  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1        4.709  -1.382  -0.110  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        5.118  -2.441  -1.082  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1        5.571   0.430   2.868  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        5.201   1.837   3.340  0.00  0.00    +0.032 C 
ATOM     31  C   LIG    1        5.164  -0.619   3.906  0.00  0.00    +0.032 C 
ENDBRANCH  24  29
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 5