REMARK  Name = BDB001836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617   1.149  -0.050  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.649   2.068   0.171  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -2.897   1.643   0.635  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.131   0.288   0.902  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.096  -0.630   0.698  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.849  -0.202   0.233  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.467   0.983  -1.390  0.00  0.00    -0.020 C 
ATOM      8  C   LIG    1        0.687   1.639  -0.514  0.00  0.00    +0.004 C 
BRANCH   7   9
ATOM      9  C   LIG    1        2.797   1.494  -1.872  0.00  0.00    +0.086 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.852  -1.483  -3.061  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.322  -0.604  -1.978  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.921   0.609  -1.459  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.758   0.960  -0.420  0.00  0.00    -0.213 NA
ATOM     14  C   LIG    1        5.614  -0.041  -0.336  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.405  -1.030  -1.262  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.729  -0.227   0.589  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.989   0.748   1.565  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.049   0.598   2.464  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.863  -0.530   2.398  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.619  -1.508   1.436  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.559  -1.357   0.537  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       -4.491  -0.171   1.381  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.456  -0.446   0.214  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.826  -0.075   0.585  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -7.536   0.956   0.024  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -8.789   0.969   0.596  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -8.836  -0.088   1.535  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.609  -0.715   1.511  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -5.390  -1.889  -0.281  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -4.525  -2.696   0.032  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.360  -2.228  -1.169  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.044  -1.544  -1.320  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9