REMARK  Name = BDB006899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.681   0.026  -0.694  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.178   0.888  -1.371  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.583   0.785  -1.405  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.121   1.789  -2.204  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.488   1.851  -2.366  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        4.328   0.980  -1.770  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        3.772   0.023  -0.983  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        1.057   2.662  -2.809  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.011   2.497  -4.333  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.246   4.135  -2.436  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.406  -0.130  -0.781  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -0.220   2.078  -2.150  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.291  -0.966  -0.078  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.176   0.404  -0.790  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.848  -0.335   1.520  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.116  -0.367   0.053  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.273  -1.754  -0.432  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.315  -2.562   0.386  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -4.391  -4.002  -0.121  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.989  -2.583   1.825  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.073  -3.018   1.938  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.890  -1.190   2.304  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -2.779   1.082   2.154  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.697   2.158   1.219  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.037   1.716   2.394  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  O   LIG    1        4.661  -0.874  -0.424  0.00  0.00    -0.438 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.699  -0.888   0.954  0.00  0.00    +0.133 A 
ATOM     28  C   LIG    1        4.560  -2.119   1.612  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1        4.331  -3.386   0.840  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1        4.615  -2.144   3.013  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        4.829  -0.969   3.737  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.995   0.244   3.071  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        4.937   0.286   1.679  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6