REMARK  Name = BDB007804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.277  -0.351   1.224  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.230  -0.236   0.004  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.081  -0.417  -0.733  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.072  -0.235  -1.727  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.456   0.106  -0.756  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.680  -0.364  -0.278  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -4.837  -0.038  -0.965  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -4.812   0.705  -2.088  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -3.618   1.163  -2.525  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -2.417   0.900  -1.898  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -6.096  -0.478  -0.580  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -6.742  -0.058  -1.248  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.493  -0.284   0.815  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -7.861  -0.944   1.042  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -8.908   0.172   0.979  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.151   1.448   0.637  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -6.742   1.188   1.147  0.00  0.00    +0.022 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.216  -0.550  -0.086  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.843   0.826   0.170  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.204   1.409  -1.098  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.101   1.056  -1.279  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.099   0.779   1.067  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.241   0.154   0.359  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.483   0.920   0.613  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.722   0.272   0.033  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.747  -1.104  -0.257  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.915  -1.689  -0.763  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        9.061  -0.918  -0.956  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.047   0.441  -0.652  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.499  -1.931  -0.081  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.885   1.033  -0.157  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.453  -1.237   0.802  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8