REMARK  Name = BDB059509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.531   0.549   0.496  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.614   0.078  -0.686  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.893   0.222   0.486  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -1.408   0.411   1.333  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.040   0.089  -1.774  0.00  0.00    -0.270 OA
BRANCH   2  12
ATOM      6  C   LIG    1       -7.829   1.130   1.060  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -7.619  -0.306   0.880  0.00  0.00    -0.301 NA
ATOM      8  C   LIG    1       -6.288  -0.734   1.361  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -5.204  -0.428   0.364  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.467  -0.210  -0.972  0.00  0.00    -0.004 A 
ATOM     11  S   LIG    1       -4.073   0.073  -1.891  0.00  0.00    -0.088 S 
ATOM     12  C   LIG    1       -3.053  -0.080  -0.514  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -6.844  -0.187  -1.555  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -3.798  -0.358   0.623  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -7.851  -0.734  -0.518  0.00  0.00    +0.089 C 
ENDBRANCH   2  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.429  -0.583  -0.043  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.510  -0.568  -1.473  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.605  -0.385  -1.809  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.857  -0.532   0.558  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.509   0.798   0.578  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.780   0.756   1.332  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.949   0.136   0.596  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.964   0.068  -0.810  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.073  -0.480  -1.468  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.171  -0.935  -0.739  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.168  -0.851   0.651  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.765   0.522  -1.606  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        7.064  -0.315   1.316  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.779   1.347  -0.765  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6