REMARK  Name = BDB057034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.442  -0.815   0.368  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -2.609   0.053   0.296  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -3.761  -0.385  -0.306  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -4.665   0.650  -0.213  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -3.981   1.655   0.451  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -3.801  -1.658  -0.843  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1       -2.702  -2.433  -0.757  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -2.674  -3.825  -1.319  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1       -2.700   1.279   0.767  0.00  0.00    -0.232 NA
ATOM     10  N   LIG    1       -1.525  -2.016  -0.155  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.130   0.750  -0.709  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.876  -0.195  -1.370  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -8.102   0.372  -1.587  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.909  -0.034  -2.050  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -8.204   1.623  -1.112  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -7.003   1.853  -0.577  0.00  0.00    +0.144 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.303  -0.327   0.986  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.442   0.624   1.324  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1        3.132  -1.160   1.880  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        2.964  -2.363   1.327  0.00  0.00    -0.213 NA
ATOM     21  S   LIG    1        1.426  -2.464   0.723  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        0.914  -0.893   1.195  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        1.985  -0.298   1.837  0.00  0.00    +0.056 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.450  -0.831   2.505  0.00  0.00    +0.111 C 
BRANCH  24  29
ATOM     25  C   LIG    1        6.872   3.137  -0.901  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1        6.284   2.072  -0.033  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        5.631   2.389   1.152  0.00  0.00    +0.114 A 
ATOM     28  N   LIG    1        5.048   1.481   1.968  0.00  0.00    -0.259 NA
ATOM     29  C   LIG    1        5.102   0.177   1.591  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        5.724  -0.230   0.411  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.313   0.730  -0.408  0.00  0.00    +0.006 A 
ENDBRANCH  24  29
ENDBRANCH  19  24
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5