REMARK  Name = BDB003379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.076   0.621  -0.401  0.00  0.00    +0.113 C 
ATOM      2  C   LIG    1        0.528   1.952  -0.060  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        1.735   2.170  -0.115  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.372   3.046   0.337  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.735   2.826   0.478  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.576   3.880   0.865  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.049   5.150   1.104  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.682   5.372   0.961  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.306   1.493   0.243  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.495   1.296   0.480  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1        0.156   4.323   0.579  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.404   0.396  -0.266  0.00  0.00    +0.104 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -2.004  -0.864  -0.499  0.00  0.00    -0.321 N 
ATOM     14  C   LIG    1       -3.154  -0.972  -1.440  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -4.370  -1.627  -0.769  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.105  -2.954  -0.286  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -2.750  -3.136   0.149  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -2.075  -1.838   0.615  0.00  0.00    +0.133 C 
ENDBRANCH  12  13
BRANCH   1  21
ATOM     19  C   LIG    1        0.800  -2.364  -2.421  0.00  0.00    +0.110 C 
ATOM     20  C   LIG    1        0.420  -0.921  -2.166  0.00  0.00    +0.221 C 
ATOM     21  N   LIG    1        0.780  -0.375  -0.920  0.00  0.00    -0.235 N 
ATOM     22  O   LIG    1       -0.231  -0.305  -3.017  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.033  -0.691  -0.289  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        2.142  -0.658   1.113  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        3.355  -0.942   1.748  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        4.481  -1.251   0.981  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        4.390  -1.303  -0.410  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.175  -1.013  -1.040  0.00  0.00    +0.024 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.780  -1.547   1.620  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        6.486  -2.483   1.293  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.106  -0.647   2.571  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        5.531   0.142   2.591  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5