REMARK  Name = BDB064701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.818  -0.144   0.184  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        3.998   0.521   0.400  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        4.979  -0.297  -0.136  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        6.302   0.164  -0.045  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1        6.533   1.348   0.565  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        5.476   2.045   1.036  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1        4.425  -1.444  -0.664  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1        4.170   1.712   0.997  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1        3.134  -1.311  -0.461  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1        7.391  -0.544  -0.538  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1        8.257  -0.270  -0.093  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        7.213  -1.534  -0.657  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   9  13
ATOM     13  S   LIG    1        1.963  -2.475  -0.969  0.00  0.00    -0.105 S 
ATOM     14  H   LIG    1        2.835  -3.340  -1.509  0.00  0.00    +0.110 HD
ENDBRANCH   9  13
BRANCH   1  15
ATOM     15  C   LIG    1        1.518   0.348   0.582  0.00  0.00    +0.167 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.890   1.248  -0.477  0.00  0.00    +0.250 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.352   1.785  -0.018  0.00  0.00    -0.490 OA
BRANCH  17  21
ATOM     18  C   LIG    1       -3.976  -0.273  -0.264  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.838  -0.848  -0.833  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -1.599  -0.199  -0.781  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -1.487   1.038  -0.152  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.627   1.615   0.413  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.866   0.967   0.361  0.00  0.00    +0.049 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -5.116  -1.016  -0.388  0.00  0.00    -0.492 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -7.439  -1.453  -0.090  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -6.311  -0.470   0.167  0.00  0.00    +0.225 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8