REMARK  Name = BDB065362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.851  -0.928   0.886  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -3.661  -1.587  -0.048  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -5.056  -1.499   0.026  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -5.673  -0.753   1.039  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -4.867  -0.091   1.973  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.473  -0.181   1.897  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        0.654  -1.404   0.313  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1        0.682  -0.639   1.415  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1       -0.576  -0.380   1.746  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1       -1.400  -0.998   0.836  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.623  -1.662  -0.088  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1        1.887  -1.860  -0.293  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.471  -0.823  -1.250  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.714  -1.321  -1.992  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.907  -1.696  -1.106  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.427  -0.585  -0.191  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.936   0.634  -0.954  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.532   1.651  -0.015  0.00  0.00    +0.307 C 
ATOM     19  O   LIG    1        5.987   2.702   0.294  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        7.747   1.232   0.432  0.00  0.00    -0.465 OA
BRANCH  20  22
ATOM     21  C   LIG    1        9.710   1.538   1.759  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        8.382   2.139   1.342  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -7.180  -0.645   1.100  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -7.696   0.318   0.144  0.00  0.00    -0.278 N 
ATOM     25  C   LIG    1       -8.162  -0.094  -1.080  0.00  0.00    +0.353 A 
ATOM     26  O   LIG    1       -8.154  -1.281  -1.401  0.00  0.00    -0.244 OA
ATOM     27  N   LIG    1       -8.638   0.856  -1.935  0.00  0.00    -0.159 NA
ATOM     28  C   LIG    1       -8.625   2.093  -1.580  0.00  0.00    +0.218 A 
ATOM     29  N   LIG    1       -8.136   2.535  -0.397  0.00  0.00    -0.205 NA
ATOM     30  C   LIG    1       -7.698   1.644   0.415  0.00  0.00    +0.207 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -9.100   3.035  -2.429  0.00  0.00    -0.327 N 
ATOM     32  H   LIG    1       -8.684   3.944  -2.283  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -9.107   2.724  -3.392  0.00  0.00    +0.145 HD
ENDBRANCH  28  31
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 13