REMARK  Name = BDB053258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.405  -0.441   0.406  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.098  -0.731   0.231  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.575  -1.870   0.733  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        1.368  -2.757   1.476  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        2.725  -2.457   1.682  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        3.626  -3.355   2.486  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        3.235  -1.275   1.136  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.809   0.764  -0.172  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.972   1.206  -0.546  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        7.603   1.673  -1.275  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.143   1.716  -1.028  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        5.452   2.837  -1.263  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        4.189   2.504  -0.951  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        3.471   3.211  -1.047  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        4.039   1.214  -0.507  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.304   0.676  -0.558  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.790  -2.127   0.554  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -0.933  -3.088   0.248  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.670  -1.205  -0.182  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -1.266  -1.060  -1.649  0.00  0.00    +0.028 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.861   0.126   0.569  0.00  0.00    +0.022 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.881   1.095  -0.047  0.00  0.00    +0.005 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.317   0.552  -0.053  0.00  0.00    +0.034 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.363   1.525  -0.640  0.00  0.00    +0.061 C 
ATOM     25  C   LIG    1       -5.449   2.838   0.140  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -6.740   0.854  -0.669  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -5.000   1.848  -1.984  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -5.022   1.029  -2.508  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1        0.797  -3.953   2.024  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.356  -4.940   2.448  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 10