REMARK  Name = BDB052363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.739  -0.959   0.070  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -2.582  -1.988  -0.751  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -3.183  -0.796  -1.551  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -2.715   0.154  -0.407  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.515  -3.003   0.059  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -4.585  -2.596   0.879  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -5.381  -3.513   1.575  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -5.124  -4.875   1.477  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.074  -5.317   0.684  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.286  -4.394  -0.010  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -2.140   1.601  -0.751  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.366   1.882  -1.895  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -0.866   3.161  -2.161  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.128   4.208  -1.286  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.889   3.974  -0.148  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.383   2.692   0.110  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.243  -0.836  -0.319  0.00  0.00    +0.311 C 
ATOM     18  O   LIG    1        0.217  -1.071  -1.436  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        0.517  -0.439   0.744  0.00  0.00    -0.464 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.921  -0.258   0.495  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.177   1.149  -0.039  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.646   1.427  -0.358  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.546   1.434   0.881  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.981   1.825   0.518  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1        7.139   0.627   2.452  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        6.903   1.946   1.734  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  27
ATOM     27  C   LIG    1       -4.691  -0.806  -1.895  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1       -5.565  -0.157  -1.330  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.007  -1.617  -2.941  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -4.242  -2.108  -3.294  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 12