REMARK  Name = BDB057597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542   0.951  -0.729  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.706   1.516  -0.560  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.361   1.285  -1.809  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.689   1.763  -2.272  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.611   0.545  -2.641  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.535   0.369  -1.961  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.304  -0.139  -2.383  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.129   2.240   0.621  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -2.423   2.141   1.081  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.647   2.899   1.714  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -0.359   2.997   1.214  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.362   1.093   1.010  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.669   1.384   1.423  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1       -5.668   0.401   1.400  0.00  0.00    +0.163 A 
ATOM     15  C   LIG    1       -5.351  -0.902   0.972  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -4.040  -1.197   0.593  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.051  -0.207   0.620  0.00  0.00    +0.027 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -6.974   0.612   1.770  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1       -7.340   1.912   2.206  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -6.382  -1.808   0.975  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -6.114  -3.110   0.475  0.00  0.00    +0.277 C 
ENDBRANCH  15  20
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  22
ATOM     22  N   LIG    1        1.638   0.903   0.062  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        1.633   1.483   0.908  0.00  0.00    +0.176 HD
BRANCH  22  25
ATOM     24  C   LIG    1        3.773   0.399   0.500  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        2.784   0.287  -0.332  0.00  0.00    -0.189 NA
BRANCH  24  29
ATOM     26  C   LIG    1        7.610  -1.341  -0.235  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.587  -1.496  -1.173  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.329  -0.929  -0.940  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.092  -0.207   0.232  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        6.109  -0.048   1.174  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        7.363  -0.617   0.935  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.185  -2.580  -1.515  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.878  -1.841  -0.339  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 8