REMARK  Name = BDB021851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.393   1.618  -1.287  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.269   0.703  -1.878  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.923  -0.623  -1.745  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.287  -0.826  -0.999  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.282   1.085  -2.462  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.163   0.322   0.673  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -0.899  -0.286   1.077  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.261   0.661   0.761  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.103   1.344  -0.608  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.928   0.648  -1.502  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.274   0.509  -0.782  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.383  -0.280   1.254  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.430  -1.810   1.139  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.541   0.198   2.718  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.098   0.281   2.748  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.835  -0.231   3.421  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        2.543  -1.743  -2.355  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.283  -3.044  -1.866  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        2.880  -4.151  -2.506  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.722  -3.984  -3.601  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.975  -2.707  -4.082  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.387  -1.599  -3.466  0.00  0.00    +0.023 A 
BRANCH  18  23
ATOM     23  C   LIG    1        1.383  -3.338  -0.687  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1       -0.058  -3.568  -1.117  0.00  0.00    +0.009 C 
ENDBRANCH  18  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.823   3.023  -1.286  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.348   3.457   0.065  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        1.603   4.319   0.882  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.089   4.703   2.134  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.321   4.229   2.580  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.071   3.373   1.776  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.587   2.988   0.525  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8