REMARK  Name = BDB007670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.774  -1.988   0.458  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.202  -2.283  -0.821  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.547  -2.196  -1.587  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.395  -2.320   1.461  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        2.947   0.125   0.902  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.450  -0.689   1.923  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.240  -1.371   1.768  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        0.515  -1.250   0.579  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.004  -0.425  -0.441  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        2.219   0.255  -0.280  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.138   0.729   1.193  0.00  0.00    -0.488 OA
BRANCH  11  14
ATOM     12  N   LIG    1        6.952   1.027  -0.666  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1        5.500   0.784  -0.870  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1        4.736   1.576   0.211  0.00  0.00    +0.189 C 
ATOM     15  C   LIG    1        5.818   2.405   0.900  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        6.968   2.381  -0.087  0.00  0.00    +0.088 C 
BRANCH  12  18
ATOM     17  C   LIG    1        7.729  -1.322  -0.613  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        7.558  -0.021   0.195  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        8.947   0.359   0.737  0.00  0.00    +0.024 C 
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -2.389  -3.087  -1.046  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.716  -2.403  -0.653  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.765  -3.373  -0.791  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -4.685  -3.975  -0.030  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.998  -1.179  -1.563  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.123  -0.284  -1.228  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.937   0.405   0.059  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.096   1.314   0.422  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.362   1.135  -0.164  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.427   1.967   0.209  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.244   2.953   1.179  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.998   3.120   1.778  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.553   0.090  -1.238  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.928   2.303   1.404  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -6.427  -0.955  -1.253  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9