REMARK  Name = BDB057023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766   1.720  -2.192  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.180   0.801  -1.079  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        0.218   0.581  -0.104  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        0.479  -0.217   0.906  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        1.790  -0.844   0.978  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        2.723  -0.604   0.001  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        3.842  -1.330   0.347  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.497  -1.965   1.528  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.217  -1.659   1.919  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.404   0.237  -1.048  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.208  -1.451  -0.377  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.263  -2.215   0.068  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        7.264  -2.049  -0.845  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.192  -2.461  -0.843  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        6.933  -1.226  -1.853  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        5.679  -0.865  -1.566  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1       -0.435  -0.487   1.909  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.059  -1.122   2.612  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.711  -0.065   2.073  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -2.658  -0.545   3.426  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -4.021   0.297   3.014  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1       -3.807   0.932   1.859  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -2.499   0.761   1.295  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.905   1.767   1.283  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.376   1.213   0.026  0.00  0.00    -0.331 N 
ATOM     26  C   LIG    1       -5.073   1.685  -1.220  0.00  0.00    +0.199 A 
ATOM     27  N   LIG    1       -5.684   0.995  -2.156  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -6.412   0.043  -1.488  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -6.242   0.165  -0.129  0.00  0.00    +0.107 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5