REMARK  Name = BDB021755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.043   1.029  -1.770  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.018   0.147  -1.286  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.544  -0.882  -0.508  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.549  -0.977  -0.453  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.206   0.306  -1.557  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.998   0.382  -0.498  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.222  -0.711  -1.064  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.167  -0.168  -2.031  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.408   1.042  -1.458  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.714   1.298   0.022  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.224   1.373   0.256  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.282   0.028   0.128  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.330  -0.142  -0.983  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.291  -1.224   1.036  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.536  -2.341   3.165  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.404  -1.113   2.278  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.277  -1.879   0.172  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.671  -1.941   0.222  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        4.324  -2.962   0.928  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        3.571  -3.929   1.593  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.178  -3.875   1.554  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.536  -2.855   0.849  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  O   LIG    1        5.691  -2.898   0.892  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        6.405  -3.917   1.579  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.526   2.143  -2.596  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.582   3.449  -1.834  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.545   3.644  -0.834  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.593   4.842  -0.118  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.680   5.857  -0.396  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.720   5.676  -1.389  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.670   4.479  -2.106  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8