REMARK  Name = BDB050188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.904  -2.304  -0.845  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.379  -1.054  -0.484  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.003  -0.827  -0.476  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.884  -1.846  -0.834  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.369  -3.089  -1.202  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.009  -3.319  -1.209  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -5.006  -1.191  -0.595  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -3.979  -1.060   0.451  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -3.082  -2.294   0.487  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1       -2.399  -2.572  -0.864  0.00  0.00    +0.022 C 
ATOM     11  C   LIG    1       -3.078  -1.819  -2.017  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -4.593  -1.820  -1.852  0.00  0.00    +0.107 C 
BRANCH   7  18
ATOM     13  C   LIG    1       -8.001   1.879   1.512  0.00  0.00    +0.340 A 
ATOM     14  N   LIG    1       -7.586   0.925   0.611  0.00  0.00    -0.161 N 
ATOM     15  C   LIG    1       -8.685   0.707  -0.191  0.00  0.00    +0.181 A 
ATOM     16  C   LIG    1       -8.553  -0.243  -1.217  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -7.382  -0.873  -1.368  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -6.234  -0.548  -0.443  0.00  0.00    +0.142 A 
ATOM     19  N   LIG    1       -9.687   1.470   0.194  0.00  0.00    -0.125 NA
ATOM     20  N   LIG    1       -6.360   0.327   0.525  0.00  0.00    -0.146 NA
ATOM     21  N   LIG    1       -9.254   2.212   1.272  0.00  0.00    -0.090 NA
BRANCH  13  23
ATOM     22  C   LIG    1       -7.841   3.346   3.293  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1       -7.216   2.368   2.472  0.00  0.00    -0.465 OA
ENDBRANCH  13  23
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  O   LIG    1        3.248  -1.758  -0.870  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.829  -0.508  -0.481  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.356  -0.642  -0.601  0.00  0.00    +0.126 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.069   0.600  -0.264  0.00  0.00    -0.287 NA
ATOM     28  C   LIG    1        6.584   0.681   1.129  0.00  0.00    +0.140 C 
ATOM     29  C   LIG    1        5.556   0.343   2.213  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        7.125   2.122   1.390  0.00  0.00    +0.232 C 
ATOM     31  O   LIG    1        6.979   2.705   2.464  0.00  0.00    -0.274 OA
ATOM     32  N   LIG    1        7.846   2.678   0.332  0.00  0.00    -0.302 N 
ATOM     33  C   LIG    1        8.563   3.921   0.533  0.00  0.00    +0.132 C 
ATOM     34  C   LIG    1        8.272   1.802  -0.744  0.00  0.00    +0.123 C 
ATOM     35  C   LIG    1        7.162   0.849  -1.229  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7