REMARK  Name = BDB047443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331  -0.539   0.478  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        1.252   0.873   0.555  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.098   1.203   0.408  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.525   2.545   0.508  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.428   3.549   0.701  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.773   3.237   0.820  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.819   0.009   0.256  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1        2.194   1.907   0.760  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        0.064  -1.073   0.310  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.240  -0.055   0.142  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -2.912   0.803  -0.731  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -4.307   0.754  -0.827  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -5.070  -0.145  -0.057  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -4.370  -0.999   0.812  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.974  -0.958   0.913  0.00  0.00    +0.026 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.602  -0.173  -0.194  0.00  0.00    -0.013 C 
ATOM     17  C   LIG    1       -7.181   1.214   0.160  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -7.294  -1.204   0.726  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.986  -0.528  -1.647  0.00  0.00    +0.015 C 
ENDBRANCH  13  16
ENDBRANCH   7  10
BRANCH   9  20
ATOM     20  C   LIG    1       -0.296  -2.460   0.097  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1       -1.274  -2.873  -0.506  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  O   LIG    1        0.591  -3.324   0.654  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1        1.360  -2.880   1.060  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
BRANCH   1  24
ATOM     24  O   LIG    1        2.427  -1.331   0.582  0.00  0.00    -0.453 OA
BRANCH  24  27
ATOM     25  C   LIG    1        6.021  -0.896   0.098  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.783  -1.180   0.680  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        3.604  -1.001  -0.043  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1        3.651  -0.568  -1.368  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        4.884  -0.278  -1.951  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        6.065  -0.436  -1.219  0.00  0.00    +0.046 A 
BRANCH  25  31
ATOM     31  O   LIG    1        7.091  -1.097   0.923  0.00  0.00    -0.492 OA
BRANCH  31  33
ATOM     32  C   LIG    1        8.917   0.445   0.510  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        8.409  -0.981   0.387  0.00  0.00    +0.225 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 8