REMARK  Name = BDB065368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.646   0.534   0.971  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.576  -0.091   2.153  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.794  -0.521   2.449  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1        2.643  -0.152   1.434  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1        1.916   0.520   0.476  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.521   1.161   0.394  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -1.383   0.201  -0.428  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.120  -0.886   0.367  0.00  0.00    +0.013 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.982  -0.410   1.540  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.050   0.569   1.106  0.00  0.00    +0.307 C 
ATOM     11  O   LIG    1       -3.810   1.701   0.705  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -5.287   0.011   1.194  0.00  0.00    -0.465 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.638   0.677  -0.712  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -6.387   0.847   0.780  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  15
ATOM     15  C   LIG    1        4.096  -0.481   1.511  0.00  0.00    +0.186 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.673  -0.584   0.181  0.00  0.00    -0.277 N 
ATOM     17  C   LIG    1        5.232   0.517  -0.417  0.00  0.00    +0.353 A 
ATOM     18  O   LIG    1        5.274   1.610   0.153  0.00  0.00    -0.244 OA
ATOM     19  N   LIG    1        5.720   0.374  -1.684  0.00  0.00    -0.159 NA
ATOM     20  C   LIG    1        5.624  -0.764  -2.284  0.00  0.00    +0.218 A 
ATOM     21  N   LIG    1        5.030  -1.854  -1.737  0.00  0.00    -0.205 NA
ATOM     22  C   LIG    1        4.587  -1.730  -0.538  0.00  0.00    +0.207 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.106  -0.907  -3.544  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        6.156  -0.031  -4.052  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.667  -1.658  -4.052  0.00  0.00    +0.145 HD
ENDBRANCH  20  23
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 10