REMARK  Name = BDB007548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.144   1.499  -3.969  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.170   1.224  -3.420  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        0.857   2.320  -2.885  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.418   3.469  -2.888  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.212   2.115  -2.340  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.410   2.172  -0.955  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.687   2.016  -0.412  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.747   1.768  -1.304  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.555   1.731  -2.690  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.281   1.916  -3.215  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        3.962   1.961   0.956  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        4.894   2.316   1.158  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.958   2.310   1.971  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1        3.682   2.701   3.262  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        2.689   2.986   4.384  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        1.489   2.219   4.301  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        1.687   0.946   3.699  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        2.019   1.119   2.223  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1        0.522  -0.176  -3.127  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.095  -0.793  -1.851  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.045   0.111  -0.744  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.744  -0.201  -0.132  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.544  -1.293  -2.041  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.126  -1.770  -0.763  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.598  -1.856  -0.887  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.279  -2.469   0.317  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.566  -3.279   1.216  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -4.224  -3.855   2.310  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.591  -3.647   2.498  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.307  -2.863   1.597  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.082  -3.467   1.040  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.656  -2.278   0.510  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -1.600  -3.090  -0.368  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8