REMARK  Name = BDB016005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.494   1.992   0.223  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.287   0.899   0.152  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.608   1.024   0.377  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.174   2.259   0.695  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.285   3.320   0.742  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.040   3.223   0.508  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.829   0.341  -0.634  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.460   0.550  -0.402  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.938   1.808  -0.025  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.851   2.868   0.108  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.216   2.681  -0.117  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.701   1.425  -0.484  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.648  -3.364  -2.387  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.573  -2.606  -1.795  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.471  -3.245  -1.372  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.701  -2.258  -0.902  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.311  -0.982  -1.012  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.528  -1.255  -1.605  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.582   2.454   0.986  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.332   3.543   0.588  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.596   3.329   1.058  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.743   4.189   0.895  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.726   2.175   1.735  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.500   1.647   1.696  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.412  -0.136   0.303  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.189   0.068  -0.323  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.720  -1.370  -0.082  0.00  0.00    +0.074 C 
ATOM     28  C   LIG    1       -0.911  -1.962   1.076  0.00  0.00    +0.053 C 
ATOM     29  C   LIG    1       -0.852  -3.440   0.738  0.00  0.00    +0.116 C 
ATOM     30  C   LIG    1       -2.260  -3.749   0.256  0.00  0.00    +0.033 C 
ATOM     31  C   LIG    1       -2.744  -2.467  -0.427  0.00  0.00    +0.025 C 
BRANCH  29  32
ATOM     32  O   LIG    1        0.080  -3.642  -0.319  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1        0.163  -4.602  -0.460  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6