REMARK  Name = BDB045048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.697  -0.124  -0.689  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        1.075  -0.434  -1.985  0.00  0.00    -0.257 N 
ATOM      3  H   LIG    1        0.379  -0.460  -2.717  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1        1.460  -0.141   0.273  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.325  -0.730  -2.447  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1        2.353  -1.018  -3.696  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1        3.319  -1.184  -3.981  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1        3.387  -0.687  -1.608  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        3.120  -0.534  -0.631  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        4.563  -1.514  -1.748  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.522  -1.234  -0.617  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1        6.359  -0.109  -0.660  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        7.235   0.162   0.392  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.277  -0.682   1.500  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.439  -1.794   1.560  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.562  -2.068   0.509  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.775   0.216  -0.584  0.00  0.00    +0.101 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.167   0.589   0.843  0.00  0.00    +0.044 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -5.377   1.555   1.060  0.00  0.00    +0.161 A 
ATOM     20  C   LIG    1       -4.947   0.228   1.261  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -3.581  -0.075   1.195  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1       -2.634   0.928   0.938  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -3.071   2.241   0.740  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.432   2.553   0.801  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.197   3.100   0.970  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.731   1.769   1.136  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1       -5.934  -0.695   1.505  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.535  -2.025   1.806  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9