REMARK  Name = BDB028495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.320  -0.990   0.918  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.325  -0.212  -0.030  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.486   0.214  -0.671  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.747  -0.308  -0.132  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.880  -0.292  -1.173  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.018   1.102  -1.805  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.679   1.556  -2.382  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.579   1.522  -1.326  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.167   0.311  -0.553  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.201   0.372  -1.560  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.196  -0.783  -0.596  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.792  -1.944  -1.112  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.000  -2.415  -0.596  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.630  -1.733   0.442  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -8.051  -0.579   0.965  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.842  -0.107   0.450  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.128  -0.113  -0.021  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.414   0.496   1.361  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.379   1.929   1.279  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.551   2.129   0.804  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.751   0.006   1.965  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.921  -0.008   1.057  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.025  -0.756   1.698  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.327  -0.711   0.926  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.576   0.309  -0.007  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.802   0.350  -0.685  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.786  -0.601  -0.419  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.550  -1.603   0.520  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.499   1.313  -0.323  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.329  -1.657   1.192  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.386   1.353   0.735  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6