REMARK  Name = BDB057013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.953  -3.398  -0.497  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.583  -1.976  -0.186  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.274  -1.629  -0.483  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.847  -0.411  -0.249  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.778   0.552   0.323  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.068   0.181   0.607  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.685   1.296   1.129  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.706   2.277   1.120  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -1.518   1.809   0.616  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.472  -1.114   0.344  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.137   1.496   1.634  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.160   0.581   1.676  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.238   1.240   2.203  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.169   0.880   2.382  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -6.984   2.523   2.505  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -5.704   2.678   2.159  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.445   0.012  -0.517  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.575   0.989  -0.260  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.514  -0.650  -1.032  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        1.581  -2.295  -1.522  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.163  -2.293  -2.005  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1        3.680  -1.081  -1.800  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1        2.768  -0.111  -1.260  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.110  -0.849  -2.180  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.811  -0.043  -1.185  0.00  0.00    -0.347 N 
ATOM     26  C   LIG    1        6.258  -0.496   0.031  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        6.880   0.552   0.673  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        6.818   1.673  -0.190  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        6.160   1.276  -1.333  0.00  0.00    +0.086 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5