REMARK  Name = BDB007779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.330   1.718   1.288  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -0.144   1.210   0.823  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.648   1.529   1.370  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.359   2.576   2.162  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.676   3.150  -0.927  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -3.216   1.890  -0.331  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1       -2.588   1.215   0.714  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.135   0.052   1.257  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.314  -0.445   0.724  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1       -4.914   0.164  -0.314  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -4.377   1.307  -0.806  0.00  0.00    +0.117 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -4.826  -1.631   1.254  0.00  0.00    -0.324 N 
ATOM     13  H   LIG    1       -4.844  -1.564   2.268  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.073  -2.207   0.737  0.00  0.00    +0.099 C 
ATOM     15  C   LIG    1       -7.327  -1.349   0.894  0.00  0.00    +0.182 C 
ATOM     16  O   LIG    1       -8.135  -1.611  -0.263  0.00  0.00    -0.378 OA
ATOM     17  C   LIG    1       -7.218  -1.861  -1.335  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1       -6.042  -2.601  -0.730  0.00  0.00    +0.052 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        0.025   0.087  -0.089  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.452  -0.020  -0.659  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.409  -0.843  -1.832  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.947  -0.341  -2.526  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.416  -0.640   0.385  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.866  -0.593   0.121  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.416   0.769   0.170  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.902   0.828  -0.122  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.545  -0.221  -0.804  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.913  -0.130  -1.091  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.634   1.006  -0.727  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.997   2.055  -0.068  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.776  -1.469  -1.161  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.637   1.969   0.230  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.256  -1.255  -1.129  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8