REMARK  Name = BDB054119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.761   0.420  -1.863  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.524   0.862  -2.113  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.028   1.278  -1.341  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.380  -0.319  -2.628  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.331   0.248  -3.171  0.00  0.00    +0.090 C 
ATOM      6  C   LIG    1        1.929  -1.080  -2.669  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1        2.873  -0.855  -1.564  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1        3.012  -1.861  -0.609  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        2.430  -2.941  -0.672  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.772   0.297  -1.674  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        3.822   0.863  -3.088  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        2.433   1.218  -3.627  0.00  0.00    +0.025 C 
BRANCH   8  13
ATOM     13  C   LIG    1        3.904  -1.630   0.550  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.920  -2.555   0.810  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.759  -2.370   1.909  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.571  -1.275   2.754  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.540  -0.366   2.509  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.700  -0.545   1.409  0.00  0.00    +0.013 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.356   0.895  -0.519  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.679   0.175   0.674  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -1.075   0.813   2.017  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -0.372   0.133   3.191  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -0.639  -1.368   3.209  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -0.265  -2.020   1.882  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -0.957  -1.341   0.701  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -3.704   1.629  -0.188  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -2.796   0.672  -0.577  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -3.093  -0.086  -1.183  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -3.361   2.662   0.389  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -5.193   1.269  -0.436  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -5.464   0.940  -1.901  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -7.259   2.012   0.613  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -6.032   2.427  -0.050  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -5.480   3.008   0.592  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 7