REMARK  Name = BDB021696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.603  -0.228  -0.416  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.740   0.250   0.263  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.938  -0.118  -0.314  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.905  -0.965  -0.860  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.651   0.922   1.287  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.225   0.337   0.034  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        4.462   1.467   0.813  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        5.782   1.847   1.098  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        6.889   1.136   0.601  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        8.312   1.524   0.888  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        6.631   0.005  -0.183  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        5.316  -0.384  -0.468  0.00  0.00    +0.024 A 
BRANCH   8  13
ATOM     13  N   LIG    1        5.970   3.029   1.928  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1        6.661   2.906   2.948  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1        5.428   4.076   1.548  0.00  0.00    -0.126 OA
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1       -3.367   0.723   0.790  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -3.204  -0.367  -0.165  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -1.798  -0.967  -0.040  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -0.710   0.104   0.186  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -1.203   1.490  -0.244  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.489   1.867   0.501  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.758   1.136   1.072  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -5.595   1.370  -0.190  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.401   0.114   2.042  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.936  -0.092   1.823  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -6.775   0.527   2.587  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1        0.647  -0.514  -1.857  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.164  -1.893  -2.212  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        1.767  -2.095  -3.464  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.250  -3.352  -3.829  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.129  -4.427  -2.951  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.520  -4.247  -1.712  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.035  -2.990  -1.346  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8