REMARK  Name = BDB034282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -2.197  -0.176  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.782  -1.634   0.003  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.434  -1.850   1.239  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.689  -1.293   1.456  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.360  -0.530   0.487  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1       -2.728  -0.327  -0.739  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1       -0.904  -2.583   2.228  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        0.293  -3.155   2.011  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -1.465  -0.873  -0.978  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.020  -3.006   0.845  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.728   0.050   0.794  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.668   1.582   0.963  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.007   2.277   0.697  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -7.192   1.381   1.026  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -7.191   0.101   0.187  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -5.791  -0.352  -0.239  0.00  0.00    +0.008 C 
ENDBRANCH   5  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.203  -2.035  -1.393  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        0.957  -1.168  -1.861  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.606  -2.394  -1.573  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.566  -1.430  -0.869  0.00  0.00    +0.034 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.572  -0.039  -1.512  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.470   0.907  -0.851  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1        4.352   0.855   0.162  0.00  0.00    +0.122 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.880   0.683  -1.170  0.00  0.00    +0.155 C 
BRANCH  24  27
ATOM     25  C   LIG    1        7.872   3.408   0.381  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        6.957   3.025  -0.628  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.728   1.675  -0.456  0.00  0.00    +0.119 A 
ATOM     28  O   LIG    1        7.451   1.213   0.606  0.00  0.00    -0.467 OA
ATOM     29  C   LIG    1        8.141   2.270   1.105  0.00  0.00    +0.195 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8