REMARK  Name = BDB054099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.538  -0.099   0.285  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.147   0.409  -0.943  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.901   0.839  -1.485  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.900  -0.955   0.890  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.002  -0.112  -1.688  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.336   0.023  -0.916  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.491  -0.403  -1.726  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.613   0.386  -2.951  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.353   0.219  -3.806  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.097   0.618  -3.038  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.736  -0.474  -0.943  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.268   0.846  -0.351  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.473   0.611   0.530  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        5.303   0.181   1.855  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.411  -0.064   2.668  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        7.708   0.126   2.174  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        8.902  -0.167   3.034  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        7.878   0.545   0.848  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        6.771   0.786   0.032  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.911   0.446   0.758  0.00  0.00    +0.164 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.305  -0.176  -1.212  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -3.925  -0.378   0.100  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1       -4.148  -1.298   0.477  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -3.877   0.762  -1.884  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -5.207  -1.299  -1.779  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -5.978  -0.840  -3.015  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -7.118  -1.044  -0.243  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -6.047  -1.915  -0.720  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1       -6.474  -2.763  -1.103  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  C   LIG    1       -3.106   0.523   2.305  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -4.474   1.179   2.605  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -2.011   1.426   2.916  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -3.075  -0.846   3.014  0.00  0.00    +0.013 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 9