REMARK  Name = BDB053565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.612  -0.172   0.955  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        2.344   1.013   0.890  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        3.731   0.986   0.680  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        4.433  -0.220   0.524  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.676  -1.401   0.587  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.290  -1.380   0.797  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        5.849  -0.243   0.310  0.00  0.00    -0.202 N 
ATOM      8  C   LIG    1        6.608  -1.388   0.145  0.00  0.00    +0.258 C 
ATOM      9  O   LIG    1        6.318  -2.571   0.133  0.00  0.00    -0.269 OA
ATOM     10  C   LIG    1        7.992  -0.967  -0.041  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        8.024   0.407   0.015  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        9.202   1.117  -0.129  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       10.374   0.384  -0.335  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       10.342  -1.024  -0.392  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        9.136  -1.717  -0.244  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.660   0.874   0.237  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1        6.425   2.067   0.322  0.00  0.00    -0.269 OA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.118  -0.146   1.160  0.00  0.00    +0.040 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.632  -0.073  -0.173  0.00  0.00    +0.040 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -4.914  -0.006   0.457  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1       -4.236  -1.222   0.297  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.855  -1.243   0.087  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -2.127  -0.049   0.031  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -2.802   1.165   0.201  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.182   1.187   0.412  0.00  0.00    +0.004 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -6.410   0.015   0.668  0.00  0.00    +0.049 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -7.209  -0.290  -0.613  0.00  0.00    +0.102 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -7.540   2.169  -1.333  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -7.080   0.770  -1.722  0.00  0.00    +0.011 C 
ENDBRANCH  27  29
BRANCH  27  30
ATOM     30  C   LIG    1       -8.670  -0.509  -0.259  0.00  0.00    +0.308 C 
ATOM     31  O   LIG    1       -9.215  -0.093   0.752  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.342  -1.222  -1.193  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -8.799  -1.494  -1.956  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9