REMARK  Name = BDB018444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.691  -1.904   0.269  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.262  -1.921   0.621  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.297  -3.107   0.933  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.417  -4.292   0.944  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.275  -5.517   1.315  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.771  -4.344   0.642  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.461  -5.358   0.650  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.399  -3.049   0.279  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.754   1.559  -0.918  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -4.042   1.034   0.282  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -3.374  -0.083   0.640  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -2.424  -0.698  -0.148  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.204  -0.073  -1.357  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -2.848   1.043  -1.760  0.00  0.00    -0.222 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -4.696   3.658  -0.316  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -4.397   2.705  -1.362  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1       -3.825   3.063  -2.119  0.00  0.00    +0.149 HD
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.520  -0.722   0.642  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.682  -0.493  -0.062  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.102   0.792   0.241  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.260   1.367   1.128  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.310   0.464   1.360  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.245   1.487  -0.262  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        3.575   2.798   0.148  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        4.716   3.422  -0.394  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        5.524   2.771  -1.325  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.202   1.483  -1.729  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.075   0.844  -1.206  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1        2.835   3.584   1.102  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        2.323   4.303   1.858  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5