REMARK  Name = BDB063984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.220  -3.533   2.704  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.004  -2.539   2.040  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.948  -1.739   1.213  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.251  -2.040   1.136  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.263  -0.706   0.611  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.962  -0.840   1.022  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        1.168  -1.880   1.861  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        2.037  -2.194   2.252  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.276  -1.316   0.367  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.005  -0.740  -0.884  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.045  -0.094  -1.576  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.341  -0.019  -1.062  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.260   0.648  -1.857  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -5.666   1.069  -2.949  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.606  -0.616   0.185  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -4.002   0.703  -3.105  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.576  -1.261   0.881  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.964  -0.009   0.639  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        1.603   0.781   0.109  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.105   0.322   1.466  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.049   1.217   0.716  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        4.428   2.452   1.232  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1        5.287   3.299   0.622  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        5.798   2.901  -0.563  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        5.491   1.692  -1.163  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.606   0.838  -0.511  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4