REMARK  Name = BDB029270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.556   1.791   0.219  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.183   1.351  -1.048  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.631   1.464  -0.612  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.592   1.077   0.864  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.281   1.479   1.354  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.132   0.612  -0.871  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1        3.982   0.564  -0.071  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.576  -0.031   1.157  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.269   0.335   1.398  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        1.858   1.144   0.368  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        2.892   1.298  -0.529  0.00  0.00    +0.147 A 
ATOM     12  N   LIG    1        2.833   2.035  -1.655  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        4.002   2.022  -2.320  0.00  0.00    +0.224 A 
ATOM     14  N   LIG    1        5.129   1.367  -1.999  0.00  0.00    -0.235 NA
BRANCH   6  16
ATOM     15  C   LIG    1        7.559   0.471  -0.701  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.363  -0.123  -0.539  0.00  0.00    -0.031 C 
ATOM     17  C   LIG    1        6.254  -1.560  -0.122  0.00  0.00    +0.045 C 
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        0.052   2.197  -2.183  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        1.028   2.221  -2.297  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -2.042   2.839  -0.740  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -1.656   3.135  -1.592  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.768  -0.432   1.149  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.216  -0.879   1.093  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.785  -1.387  -0.089  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.110  -1.756  -0.057  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -6.237  -2.313  -0.877  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -7.108  -2.182   0.416  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -5.875  -1.639   1.075  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -5.365  -1.145   2.251  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.021  -0.760   2.255  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1       -0.966  -1.226   0.270  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -1.170  -2.156   0.479  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7