REMARK  Name = BDB054556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.818  -2.581  -3.106  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.812  -1.814  -1.815  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        0.578  -1.719  -1.190  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        0.461  -1.071  -0.056  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        1.653  -0.461   0.519  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        2.861  -0.570  -0.121  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        3.775   0.102   0.661  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.038   0.574   1.735  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        1.715   0.221   1.643  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.936  -1.263  -1.314  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.296   0.317   0.447  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.115   1.010   1.310  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        7.366   0.970   0.765  0.00  0.00    -0.262 N 
ATOM     14  N   LIG    1        7.415   0.296  -0.405  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        6.151  -0.102  -0.589  0.00  0.00    +0.144 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.579   1.542   1.317  0.00  0.00    +0.238 C 
BRANCH  16  17
ATOM     17  C   LIG    1        8.976   2.794   0.575  0.00  0.00    +0.232 C 
ATOM     18  O   LIG    1        9.007   3.904   1.099  0.00  0.00    -0.274 OA
ATOM     19  N   LIG    1        9.357   2.623  -0.728  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1        9.504   3.467  -1.266  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        8.990   1.817  -1.232  0.00  0.00    +0.145 HD
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   7  11
BRANCH   4  22
ATOM     22  N   LIG    1       -0.735  -0.932   0.628  0.00  0.00    -0.290 N 
ATOM     23  H   LIG    1       -0.611  -0.394   1.484  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -1.985  -1.383   0.344  0.00  0.00    +0.091 A 
ATOM     25  S   LIG    1       -2.471  -2.311  -1.018  0.00  0.00    +0.027 S 
ATOM     26  N   LIG    1       -4.070  -2.435  -0.613  0.00  0.00    -0.212 NA
ATOM     27  C   LIG    1       -4.282  -1.772   0.525  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1       -3.116  -1.175   1.112  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -5.671  -1.739   1.113  0.00  0.00    +0.140 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.511  -0.615   0.659  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1       -6.826  -0.685  -0.773  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.879   0.362  -1.143  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.434   1.764  -0.739  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -7.023   1.793   0.730  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.997   0.701   1.042  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7