REMARK  Name = BDB018457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.201   0.152  -0.556  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.441  -0.333  -1.857  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        2.758  -0.343  -2.360  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.830   0.100  -1.585  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        3.602   0.534  -0.284  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        2.302   0.574   0.222  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.280   0.282   0.474  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.345   0.205  -0.536  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -0.094   0.246   0.044  0.00  0.00    -0.238 N 
ATOM     10  N   LIG    1       -0.200   0.432   1.388  0.00  0.00    -0.174 NA
ATOM     11  C   LIG    1       -1.508   0.418   1.639  0.00  0.00    +0.143 A 
BRANCH   7  19
ATOM     12  C   LIG    1       -6.814   1.614   2.161  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -5.906   0.921   1.196  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.559   0.187   0.065  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -7.784   0.162  -0.024  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -5.693  -0.431  -0.833  0.00  0.00    -0.317 N 
ATOM     17  C   LIG    1       -6.245  -1.166  -1.962  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1       -4.316  -0.391  -0.688  0.00  0.00    +0.097 A 
ATOM     19  C   LIG    1       -3.707   0.254   0.327  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.566   0.932   1.289  0.00  0.00    +0.018 A 
ENDBRANCH   7  19
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1        0.441  -0.901  -2.714  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -0.355  -1.366  -3.419  0.00  0.00    -0.191 NA
ENDBRANCH   2  21
BRANCH   5  23
ATOM     23  O   LIG    1        4.605   1.011   0.529  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.758   0.263   0.605  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        6.968   0.940   0.452  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        8.171   0.241   0.548  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.162  -1.129   0.815  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.951  -1.800   0.992  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.746  -1.103   0.896  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 5