REMARK  Name = BDB001837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742   0.154  -0.483  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.033   0.999   0.594  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -2.302   1.569   0.733  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.304   1.312  -0.210  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -3.006   0.483  -1.299  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.737  -0.086  -1.436  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.872  -1.656  -1.024  0.00  0.00    -0.020 C 
ATOM      8  C   LIG    1        0.611  -0.408  -0.598  0.00  0.00    +0.004 C 
BRANCH   7   9
ATOM      9  C   LIG    1        2.226  -2.312  -1.143  0.00  0.00    +0.086 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.004  -2.219   2.132  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.623  -1.630   0.933  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.336  -1.637  -0.416  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.277  -0.883  -1.086  0.00  0.00    -0.213 NA
ATOM     14  C   LIG    1        5.085  -0.448  -0.137  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.741  -0.868   1.122  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.266   0.404  -0.250  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.663   0.875  -1.511  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.788   1.691  -1.651  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.532   2.048  -0.529  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.153   1.590   0.731  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.027   0.774   0.870  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -4.681   1.913  -0.064  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.654   1.174   0.873  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.068  -0.135   0.353  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -7.224  -0.343  -0.366  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -7.271  -1.670  -0.732  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -6.104  -2.285  -0.228  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.379  -1.316   0.429  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -5.184   1.169   2.322  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -4.799   0.205   2.965  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.223   2.403   2.899  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -5.584   3.124   2.349  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9