REMARK  Name = BDB033060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -0.859  -0.379  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.487  -0.189  -0.574  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.335  -1.273  -1.010  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.822  -2.507  -0.652  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.363  -3.591  -0.793  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.488  -2.289   0.015  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.753   1.803  -0.488  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.162   1.082   0.418  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1        0.739  -0.220   0.604  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.394  -0.815   1.101  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.220   1.543   1.409  0.00  0.00    +0.148 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.576   1.185   0.901  0.00  0.00    +0.026 A 
ATOM     13  N   LIG    1        4.029   1.626  -0.322  0.00  0.00    -0.358 N 
ATOM     14  H   LIG    1        3.500   2.202  -0.966  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1        5.297   1.149  -0.563  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.672   0.396   0.548  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1        6.944  -0.207   0.560  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        7.793  -0.037  -0.539  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.391   0.720  -1.637  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.133   1.330  -1.671  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.584   0.429   1.464  0.00  0.00    +0.031 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -3.694  -1.067  -1.476  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.646  -0.712  -0.350  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -5.184   0.585  -0.178  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.050   0.828   0.906  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -6.383  -0.186   1.804  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.859  -1.461   1.633  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.000  -1.722   0.566  0.00  0.00    +0.006 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -4.870   1.716  -1.132  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1       -5.465   2.896  -0.799  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -3.538   1.986  -1.204  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -5.271   1.450  -2.406  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6