REMARK  Name = BDB054467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.272  -0.491   0.459  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.012   0.479   0.579  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.898  -1.191   0.145  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        2.002  -0.419   0.088  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        3.116  -1.107  -0.214  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        3.203  -2.462  -0.458  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        4.563  -2.696  -0.726  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        5.298  -1.581  -0.661  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        2.022  -3.177  -0.380  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        4.393  -0.619  -0.344  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        0.876  -2.524  -0.078  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.798   0.770  -0.176  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        5.878   0.948   0.911  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        7.183   0.986   0.165  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        6.896   1.241  -1.284  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        7.686   2.244  -0.488  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        5.408   1.366  -1.461  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -4.308  -3.209   0.841  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1       -3.417  -2.068   0.811  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -3.789  -0.752   1.021  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -2.616  -0.010   0.940  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -1.549  -0.883   0.624  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -2.075  -2.146   0.541  0.00  0.00    +0.109 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.144  -0.329   1.333  0.00  0.00    +0.263 C 
ATOM     25  N   LIG    1       -5.590   0.874   0.808  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1       -4.991   1.643  -0.273  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1       -6.140   2.475  -0.831  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -7.032   2.681   0.386  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.935   1.340   1.096  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -5.891  -1.021   2.025  0.00  0.00    -0.268 OA
ENDBRANCH  20  24
ENDBRANCH   1  22
TORSDOF 4