REMARK  Name = BDB016406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.121  -0.290  -0.534  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.681  -1.127   0.501  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.312  -1.290   0.796  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1        0.875  -2.232   1.907  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -0.615  -2.566   1.775  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.412  -1.285   1.604  0.00  0.00    +0.111 C 
ATOM      7  N   LIG    1       -1.026  -0.596   0.361  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        1.663  -3.547   1.967  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1        0.357  -0.550   0.065  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.809   0.281  -0.977  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.166   0.404  -1.280  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.084  -0.562  -0.601  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -3.208   0.306  -0.397  0.00  0.00    +0.070 A 
ATOM     14  N   LIG    1       -3.161   1.103   0.771  0.00  0.00    -0.338 N 
ATOM     15  H   LIG    1       -2.171   1.212   1.010  0.00  0.00    +0.146 HD
ATOM     16  C   LIG    1       -3.896   2.357   0.779  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1       -5.362   2.048   0.987  0.00  0.00    +0.118 C 
ATOM     18  C   LIG    1       -6.039   1.779  -0.319  0.00  0.00    +0.219 C 
ATOM     19  N   LIG    1       -5.492   0.963  -1.254  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -6.124   0.848  -2.036  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -7.152   2.263  -0.554  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.369   3.207   1.939  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -4.276   0.251  -1.317  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -4.160  -0.579  -2.450  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -3.037  -1.375  -2.668  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.006  -1.373  -1.742  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  28
ATOM     27  C   LIG    1        5.122   1.081  -0.773  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        4.564  -0.144  -0.821  0.00  0.00    +0.013 C 
BRANCH  27  30
ATOM     29  C   LIG    1        6.899   2.822  -0.615  0.00  0.00    +0.125 C 
ATOM     30  N   LIG    1        6.422   1.500  -0.969  0.00  0.00    -0.352 N 
ATOM     31  H   LIG    1        7.132   0.775  -0.923  0.00  0.00    +0.145 HD
ENDBRANCH  27  30
BRANCH  28  32
ATOM     32  C   LIG    1        5.405  -1.325  -1.160  0.00  0.00    +0.111 C 
ATOM     33  N   LIG    1        5.010  -2.555  -1.117  0.00  0.00    -0.307 NA
ATOM     34  H   LIG    1        5.774  -3.174  -1.408  0.00  0.00    +0.186 HD
ENDBRANCH  28  32
ENDBRANCH   1  28
TORSDOF 4