REMARK  Name = BDB054581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.188   0.114  -1.160  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        2.448  -0.804  -0.447  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.131  -0.546  -0.736  0.00  0.00    +0.179 A 
ATOM      4  C   LIG    1        0.077  -1.351  -0.133  0.00  0.00    +0.167 A 
ATOM      5  N   LIG    1        0.422  -2.320   0.683  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1        1.760  -2.558   0.955  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        2.027  -3.692   1.903  0.00  0.00    +0.067 C 
ATOM      8  N   LIG    1        0.967   0.456  -1.573  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        2.762  -1.834   0.418  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        2.248   0.871  -1.839  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.693   1.108  -1.778  0.00  0.00    -0.262 N 
ATOM     12  N   LIG    1        6.978   0.102  -0.921  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        5.774  -0.381  -0.597  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        4.724   0.309  -1.232  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        5.354   1.270  -1.991  0.00  0.00    +0.118 A 
BRANCH  11  16
ATOM     16  C   LIG    1        7.772   1.871  -2.373  0.00  0.00    +0.239 C 
BRANCH  16  20
ATOM     17  C   LIG    1        9.440   3.094   0.805  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        8.937   2.280  -0.271  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        8.636   1.329  -0.051  0.00  0.00    +0.148 HD
ATOM     20  C   LIG    1        8.362   2.854  -1.387  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1        8.365   4.065  -1.601  0.00  0.00    -0.274 OA
ENDBRANCH  16  20
ENDBRANCH  11  16
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  N   LIG    1       -1.236  -1.052  -0.454  0.00  0.00    -0.290 N 
ATOM     23  H   LIG    1       -1.291  -0.266  -1.100  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.406  -1.614  -0.052  0.00  0.00    +0.091 A 
ATOM     25  S   LIG    1       -2.609  -2.929   1.035  0.00  0.00    +0.027 S 
ATOM     26  N   LIG    1       -4.263  -2.977   0.984  0.00  0.00    -0.212 NA
ATOM     27  C   LIG    1       -4.696  -2.015   0.167  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1       -3.671  -1.222  -0.450  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.177  -1.853  -0.049  0.00  0.00    +0.140 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.609  -0.464   0.223  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1       -7.973  -0.261  -0.292  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -8.441   1.179  -0.073  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -8.364   1.568   1.398  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -6.976   1.274   1.953  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -6.555  -0.170   1.668  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7