REMARK  Name = BDB022160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.738  -0.549   1.114  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.388  -0.319   0.913  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        0.289  -1.454   1.345  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1       -0.575  -2.342   1.928  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -1.774  -1.776   1.801  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.696  -1.750   1.224  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        2.482  -0.888   0.543  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        3.797  -1.184   0.447  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        4.339  -2.327   0.997  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.463  -3.153   1.657  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.153  -2.893   1.781  0.00  0.00    -0.219 NA
BRANCH   8  12
ATOM     12  C   LIG    1        4.579  -0.186  -0.306  0.00  0.00    +0.038 A 
ATOM     13  S   LIG    1        6.292  -0.093  -0.178  0.00  0.00    -0.095 S 
ATOM     14  C   LIG    1        6.386   1.222  -1.263  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.146   1.600  -1.720  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.110   0.793  -1.168  0.00  0.00    +0.017 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  N   LIG    1       -3.131   0.610  -0.527  0.00  0.00    -0.298 N 
ATOM     18  C   LIG    1       -2.867   0.309   0.817  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -3.564   0.738   1.734  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -5.590   0.920  -0.834  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.211   1.559  -0.798  0.00  0.00    +0.104 C 
ENDBRANCH  17  21
BRANCH  17  22
ATOM     22  C   LIG    1       -2.579  -0.140  -1.660  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -3.224  -1.504  -1.855  0.00  0.00    +0.024 C 
ENDBRANCH  17  22
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1        0.236   0.982   0.322  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -0.268   2.331   0.769  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        1.075   1.852   1.225  0.00  0.00    +0.010 C 
ENDBRANCH   2  24
TORSDOF 6