REMARK  Name = BDB057024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.283  -1.411   2.920  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -3.218  -0.699   1.599  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.976  -0.180   1.270  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -1.810   0.462   0.138  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -2.954   0.608  -0.750  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -4.173   0.084  -0.399  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -5.035   0.384  -1.430  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -4.261   1.080  -2.344  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -2.964   1.217  -1.918  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -4.300  -0.583   0.804  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -6.540   0.050  -1.592  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -7.308   0.406  -2.678  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -8.562  -0.073  -2.430  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -9.391   0.002  -3.012  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -8.663  -0.718  -1.257  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -7.429  -0.641  -0.748  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1       -0.602   1.010  -0.263  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.688   1.465  -1.170  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.614   1.034   0.344  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        1.028   0.360   1.869  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        2.617   0.817   1.859  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1        2.880   1.464   0.724  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1        1.762   1.619  -0.163  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1        4.270   1.982   0.469  0.00  0.00    +0.180 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.190   0.891   0.145  0.00  0.00    -0.309 N 
ATOM     26  C   LIG    1        6.178   0.566   1.077  0.00  0.00    +0.255 A 
ATOM     27  O   LIG    1        6.369   1.179   2.125  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        7.062  -0.598   0.724  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        8.097  -0.987   1.730  0.00  0.00    +0.049 C 
ATOM     30  C   LIG    1        6.889  -1.222  -0.452  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        5.868  -0.801  -1.374  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        5.061   0.217  -1.059  0.00  0.00    +0.089 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5