REMARK  Name = BDB050998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.592  -0.819   0.502  0.00  0.00    -0.215 N 
ATOM      2  C   LIG    1        1.034   0.449   0.780  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        0.883   1.044   1.838  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1        1.820   0.951  -0.437  0.00  0.00    +0.138 C 
ATOM      5  C   LIG    1        3.281   1.201  -0.177  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        3.702   2.357  -0.844  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        5.022   2.778  -0.793  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        5.949   2.028  -0.053  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        5.513   0.871   0.628  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        2.579   2.978  -1.612  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        4.182   0.447   0.560  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.351   2.308  -0.976  0.00  0.00    +0.045 C 
ATOM     13  N   LIG    1        1.627  -0.139  -1.353  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        2.205  -0.299  -2.167  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        1.046  -1.213  -0.720  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1        1.011  -2.338  -1.192  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.120  -1.732   1.519  0.00  0.00    +0.213 C 
BRANCH  17  19
ATOM     18  N   LIG    1       -2.407  -1.479   1.267  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -1.283  -1.499   2.096  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -1.402  -1.460   3.328  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.805  -0.675   1.226  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -3.736  -1.518   1.928  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.111  -2.971   2.164  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.500  -3.401   2.576  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.970  -3.781   1.221  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
BRANCH  18  26
ATOM     26  C   LIG    1       -2.349  -1.742  -0.173  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.298  -0.510  -1.054  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.279   0.801  -0.556  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.286   1.895  -1.423  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.284   1.696  -2.802  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.274   0.402  -3.314  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.284  -0.692  -2.447  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  33
ATOM     33  C   LIG    1        7.382   2.476   0.072  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1        7.846   3.022  -1.156  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        8.775   3.268  -1.016  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH   8  33
TORSDOF 8