REMARK  Name = BDB055082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.154   1.318   0.684  0.00  0.00    -0.285 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.509   2.570   0.297  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1       -2.803   2.963   0.529  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -2.864   4.231   0.038  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -1.615   4.548  -0.465  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -1.413   5.812  -1.033  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -2.497   6.703  -1.064  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.747   6.342  -0.544  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.963   5.082   0.026  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -0.766   3.486  -0.294  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.982   0.617   1.666  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.127  -0.155   0.999  0.00  0.00    +0.019 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.633  -1.337   0.160  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.762  -2.106  -0.535  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.813  -2.733   0.386  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.325  -4.417   2.188  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.230  -3.736   1.381  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.275   0.982   0.631  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.747   0.727  -0.809  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.196   0.305  -0.852  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        2.546  -1.050  -0.867  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.890  -1.440  -0.879  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.898  -0.477  -0.882  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        4.553   0.875  -0.843  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.212   1.267  -0.833  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.242  -0.729  -0.882  0.00  0.00    -0.478 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.678  -1.956  -1.461  0.00  0.00    +0.278 C 
ATOM     28  C   LIG    1        8.086  -1.697  -1.992  0.00  0.00    +0.064 C 
BRANCH  27  29
ATOM     29  C   LIG    1        6.736  -3.129  -0.470  0.00  0.00    +0.346 C 
ATOM     30  O   LIG    1        6.581  -3.046   0.739  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.954  -4.328  -1.071  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        7.046  -4.291  -2.042  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14