REMARK  Name = BDB054484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.030  -1.177   0.374  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -1.971  -0.271   0.095  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.903   0.999  -0.569  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.572   1.440  -0.559  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1        0.145   0.465   0.118  0.00  0.00    -0.338 N 
ATOM      6  C   LIG    1       -0.203   2.660  -1.167  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        1.171   3.249  -1.240  0.00  0.00    +0.068 C 
ATOM      8  N   LIG    1       -1.185   3.410  -1.747  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1       -2.460   2.984  -1.746  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -2.880   1.799  -1.182  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.676  -0.584   0.503  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.378  -1.781   1.176  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.424  -2.663   1.443  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.728  -2.368   1.052  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -5.351  -1.722   0.234  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.288  -0.823  -0.045  0.00  0.00    -0.494 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  C   LIG    1        1.571   0.494   0.426  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.404  -0.228  -0.632  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.915  -0.080  -0.421  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.432  -0.520   0.950  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.030  -1.884   1.268  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1        4.461  -2.167   2.148  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        4.396  -2.522   0.561  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 6