REMARK  Name = BDB007551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.735   0.441  -0.572  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.876  -0.671  -0.075  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.040  -1.730  -0.360  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.359  -2.659  -0.123  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.000  -0.937   0.860  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.134  -0.126   0.775  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -4.193  -0.362   1.636  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -4.149  -1.332   2.568  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -3.034  -2.088   2.653  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -1.938  -1.935   1.827  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.355   0.395   1.633  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -5.944  -0.012   2.360  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.060   0.593   0.362  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -7.087   1.718   0.560  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -8.192   1.602  -0.474  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -8.916   0.375  -0.384  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -8.211  -0.709   0.219  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -6.731  -0.700  -0.127  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.003  -1.647  -1.383  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.124  -0.633  -1.052  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.731   0.674  -1.485  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.822   0.827  -1.143  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.433  -1.043  -1.779  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.687  -0.335  -1.459  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.124  -0.538  -0.070  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.409   0.194   0.262  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.828   1.296  -0.506  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.001   1.980  -0.161  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.742   1.589   0.954  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.319   0.511   1.729  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.048   1.697  -1.735  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.158  -0.182   1.387  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.632   1.102  -1.758  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8