REMARK  Name = BDB021080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.247  -1.323  -1.353  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        1.021  -0.942  -0.849  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.131  -0.746  -1.693  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.363  -0.309  -1.173  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.531  -0.120   0.201  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.459  -0.376   1.055  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.007  -0.998  -3.169  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.000  -2.111  -3.387  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.229  -0.789   0.534  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.333  -1.712  -2.775  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -2.900   4.662   1.148  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -1.930   3.662   0.573  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -2.293   2.321   0.627  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -1.294   1.357   0.151  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -1.909   0.033  -0.122  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.204  -0.269   0.219  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.499  -1.513  -0.253  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -2.466  -2.031  -0.877  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -4.104   0.657   0.868  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.458  -1.105  -0.767  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -3.327   1.793   1.523  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -0.874   4.046   0.073  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -4.870  -2.234  -0.133  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -5.271  -2.825   1.194  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.888  -3.728   0.059  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.821   0.340   0.735  0.00  0.00    -0.002 A 
ATOM     27  C   LIG    1        5.666  -0.569   1.254  0.00  0.00    +0.094 A 
ATOM     28  N   LIG    1        6.884  -0.188   1.763  0.00  0.00    -0.329 N 
ATOM     29  H   LIG    1        7.513  -0.880   2.150  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        7.335   1.109   1.786  0.00  0.00    +0.249 A 
ATOM     31  O   LIG    1        8.426   1.427   2.245  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        6.412   2.123   1.216  0.00  0.00    +0.071 A 
ATOM     33  C   LIG    1        5.226   1.737   0.723  0.00  0.00    +0.015 A 
ENDBRANCH   5  26
TORSDOF 3