REMARK  Name = BDB014629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.566  -2.574   0.190  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1        0.378  -2.899  -0.425  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1        0.397  -3.171  -1.403  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.625  -1.972   1.259  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.784  -3.049  -0.580  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.093  -2.598   0.061  0.00  0.00    +0.083 C 
BRANCH   6  14
ATOM      7  C   LIG    1        5.940   4.322  -1.814  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.330   3.164  -1.079  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        5.597   1.848  -1.497  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.995   0.779  -0.818  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        4.142   1.046   0.247  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1        3.739  -0.191   0.673  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1        3.070  -0.393   1.408  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1        4.335  -1.138  -0.126  0.00  0.00    +0.109 A 
ATOM     15  C   LIG    1        3.838   2.337   0.681  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        5.098  -0.574  -1.039  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1        4.449   3.392  -0.010  0.00  0.00    +0.005 A 
ENDBRANCH   6  14
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.890  -2.407   0.092  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.067  -3.075  -0.620  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.012  -2.788  -2.026  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.977  -1.823  -2.131  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.465  -2.768  -0.022  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.956  -1.399   0.173  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.485  -0.740   1.396  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.051   0.651   1.595  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.658   1.349   0.536  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.151   2.644   0.746  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.017   3.255   1.992  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.399   2.575   3.039  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.838   0.678  -0.802  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -3.917   1.281   2.842  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.897  -0.520  -0.988  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8