REMARK  Name = BDB037037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.261  -2.921   0.556  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -2.369  -2.095   0.399  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1       -2.571  -0.665   0.782  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -3.957  -0.417   0.417  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -4.508  -1.488  -0.270  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.585  -1.554  -0.830  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.521  -2.572  -0.230  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.634  -3.858  -0.723  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.534  -4.700  -0.568  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.365  -4.237   0.063  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.506   0.935   0.406  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.235   1.634  -0.935  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.238   1.417  -1.623  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.117   2.630  -1.286  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.917   3.112  -2.151  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.159   3.132  -0.547  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.773   4.129  -0.914  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.440   2.455   0.775  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.993   1.002   0.756  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.015  -2.453   1.218  0.00  0.00    +0.120 C 
BRANCH  20  25
ATOM     21  C   LIG    1        3.999   0.669  -0.743  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1        3.165  -0.370  -0.388  0.00  0.00    -0.265 N 
ATOM     23  C   LIG    1        3.022  -0.849   0.985  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        2.444  -2.274   1.046  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        1.175  -2.475   0.316  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        1.019  -1.526  -0.812  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        2.351  -1.034  -1.403  0.00  0.00    +0.126 C 
ATOM     28  O   LIG    1        4.144   1.059  -1.893  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1        4.626   1.203   0.337  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1        6.036   2.599   1.622  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        5.556   2.307   0.192  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        6.768   1.908  -0.657  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        4.857   3.558  -0.354  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5