REMARK  Name = BDB014865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283   6.491   0.590  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.755   5.399   0.632  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.305   4.086   0.577  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.346   3.048   0.714  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.830   1.719   0.295  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.487   0.468   0.136  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.611  -0.470  -0.242  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.571   0.161  -0.342  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -0.492   1.475  -0.009  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.568   2.491   0.013  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.093   3.691   0.861  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.951   5.685   0.703  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.817   0.325   0.359  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        3.340   1.157   0.598  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.667  -0.805   0.299  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.225  -2.100   0.006  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.112  -3.191  -0.032  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        3.605  -4.559  -0.383  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.471  -2.976   0.203  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.933  -1.696   0.496  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.039  -0.624   0.546  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.739  -0.588  -0.763  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.360  -1.356   0.399  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.610  -2.083  -0.028  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.523  -3.346  -0.630  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.677  -4.011  -1.047  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.926  -3.419  -0.870  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.023  -2.163  -0.275  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.870  -1.495   0.143  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5