REMARK  Name = BDB043107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.228   0.698  -0.029  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.953   0.523  -0.883  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.694  -0.567  -1.404  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.148   1.633  -1.048  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.606   3.000  -0.823  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.661   3.868  -1.669  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.608   3.030  -1.845  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        1.632   3.323  -0.739  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.640   2.197  -0.547  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        1.921   0.953  -0.279  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.138   0.548  -1.458  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.618   3.352   0.666  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.816   2.764   1.415  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.068   1.588  -1.867  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.908   1.238   1.369  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.200  -0.773   0.304  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.857  -0.622   0.056  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.317  -1.387  -0.338  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -5.919   0.178   0.612  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -5.723  -2.234   0.263  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.395  -2.922  -1.059  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -7.661  -3.312   1.264  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.195  -2.215   0.430  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.442  -1.323   0.875  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.797  -0.123   0.216  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.913  -0.608  -0.727  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.742  -1.700  -0.091  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        5.876  -1.379   0.674  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.634  -2.385   1.278  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        6.251  -3.718   1.116  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        5.124  -4.049   0.365  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.370  -3.043  -0.236  0.00  0.00    +0.004 A 
BRANCH  29  33
ATOM     33  O   LIG    1        7.754  -2.202   2.041  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        8.182  -0.862   2.245  0.00  0.00    +0.277 C 
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7