REMARK  Name = BDB021843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.602   0.067  -0.251  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.578  -0.947  -0.294  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.816  -0.550   0.169  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.040   0.384  -0.139  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.332  -2.067  -0.734  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.931  -1.403   0.368  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -5.203  -0.931  -0.042  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -5.395   0.417  -0.688  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -6.334  -1.747   0.128  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -6.221  -3.006   0.705  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.980  -3.453   1.146  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.829  -2.654   1.016  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.559  -3.193   1.617  0.00  0.00    +0.045 C 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.668  -0.169  -0.598  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.971  -1.320  -0.008  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.573  -0.920   0.465  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.760  -0.314  -0.686  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.542   0.817  -1.365  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.941   0.346  -1.766  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        5.098  -0.397  -0.884  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        5.382  -1.652  -1.726  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.966  -0.430   0.399  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.780   1.153   2.047  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.011   0.879   1.198  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -0.745   1.218   0.653  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.634   2.326   0.125  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.360   3.114   1.032  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.187   4.144   0.581  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.292   4.406  -0.783  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.568   3.642  -1.695  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.740   2.612  -1.244  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7