REMARK  Name = BDB007662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.541   2.044   1.349  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.278   1.066   1.396  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.992  -0.067   2.127  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.716  -0.756   2.281  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.566   1.072   0.659  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.147  -0.101   0.173  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -4.355  -0.024  -0.513  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -4.977   1.153  -0.701  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -4.390   2.280  -0.244  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -3.189   2.294   0.432  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.931  -1.237  -0.963  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.212  -1.762  -1.453  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.204  -1.426  -1.595  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -7.425  -0.763  -0.927  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -7.945  -0.468  -2.352  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.485  -0.575  -2.848  0.00  0.00    +0.022 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.189  -0.153   2.971  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.431  -0.689   2.244  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.374  -1.153   3.224  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.245  -1.081   2.777  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.122   0.372   1.359  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.463  -0.089   0.916  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.239   1.074   0.430  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.568   0.702  -0.195  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.798  -0.597  -0.682  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.024  -0.909  -1.284  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.007   0.070  -1.426  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.776   1.363  -0.963  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.750  -1.663  -0.496  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.561   1.679  -0.353  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.367  -1.083  -0.169  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8