REMARK  Name = BDB004365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.987  -0.381  -0.457  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.148  -0.761   0.274  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.424  -0.381  -0.158  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.629  -0.765   0.602  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        3.902  -0.308   0.052  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        5.074  -0.633   0.717  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        6.304  -0.207   0.210  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        6.340   0.547  -0.966  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        5.151   0.870  -1.629  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.976  -1.428   1.949  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.977  -1.747   2.581  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.704  -1.785   2.339  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.614  -2.334   3.188  0.00  0.00    +0.192 HD
ATOM     14  C   LIG    1        3.926   0.440  -1.117  0.00  0.00    +0.138 A 
ATOM     15  O   LIG    1        2.797   0.788  -1.814  0.00  0.00    -0.455 OA
ATOM     16  N   LIG    1        2.542  -1.469   1.692  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        1.581   0.373  -1.322  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1        0.458   0.747  -2.059  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -0.817   0.370  -1.632  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1       -2.370  -0.808  -0.005  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.330   0.314   0.066  0.00  0.00    -0.296 NA
BRANCH  21  23
ATOM     22  C   LIG    1       -3.647   2.561   1.093  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.033   1.171   1.231  0.00  0.00    +0.081 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.715  -0.194   0.124  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.249  -0.669  -1.238  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -6.599  -1.112  -1.113  0.00  0.00    -0.394 OA
ATOM     27  H   LIG    1       -6.596  -1.901  -0.545  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6