REMARK  Name = BDB057820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.306   2.064   3.115  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.588   1.249   2.238  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.116   0.418   1.230  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.949  -0.328   0.484  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.272  -0.217   0.712  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.820   0.568   1.652  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.960   1.283   2.395  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.168  -1.061  -0.101  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.375  -0.562  -0.680  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.163  -1.493  -1.402  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.791  -2.828  -1.577  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.605  -3.289  -1.031  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.805  -2.415  -0.302  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.827   0.971  -0.546  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -5.870   1.330   0.554  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -6.362   2.454  -0.379  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -5.833   1.607  -1.554  0.00  0.00    +0.008 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.271   0.315   1.021  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        1.671   1.243   0.922  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.655  -0.539  -0.097  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.163  -0.515  -0.227  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.964  -1.152   0.732  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        5.359  -1.128   0.632  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.972  -0.458  -0.435  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        5.175   0.186  -1.393  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        3.782   0.158  -1.287  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        7.385  -0.418  -0.559  0.00  0.00    -0.220 N 
ATOM     28  N   LIG    1        7.997   0.234  -1.580  0.00  0.00    -0.061 NA
ATOM     29  N   LIG    1        9.309   0.105  -1.439  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1        9.540  -0.634  -0.321  0.00  0.00    +0.156 A 
ATOM     31  C   LIG    1        8.342  -0.978   0.257  0.00  0.00    +0.136 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6