REMARK  Name = BDB022148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.070   1.227  -1.645  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.139   1.056  -0.181  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.355   0.668   0.390  0.00  0.00    -0.202 N 
ATOM      4  N   LIG    1       -1.289   0.711   1.756  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.048   1.105   2.026  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1        0.737   1.276   0.874  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        2.128   1.694   0.838  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        3.018   0.919   0.101  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        4.401   1.381  -0.013  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        5.158   0.682  -1.156  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1        5.135  -0.795  -1.114  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        6.421  -1.348  -0.697  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        4.043  -1.320  -0.270  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.765  -0.462  -0.332  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        2.491   2.688   1.462  0.00  0.00    -0.270 OA
ENDBRANCH   6   7
BRANCH   3  16
ATOM     16  C   LIG    1       -2.573   0.256  -0.274  0.00  0.00    +0.252 A 
ATOM     17  N   LIG    1       -3.635  -0.056   0.499  0.00  0.00    -0.210 NA
ATOM     18  C   LIG    1       -4.773  -0.447  -0.113  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -4.869  -0.536  -1.486  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.740  -0.204  -2.194  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1       -2.588   0.189  -1.622  0.00  0.00    -0.219 NA
BRANCH  18  22
ATOM     22  C   LIG    1       -5.870  -0.760   0.822  0.00  0.00    +0.038 A 
ATOM     23  S   LIG    1       -7.408  -1.308   0.280  0.00  0.00    -0.095 S 
ATOM     24  C   LIG    1       -8.022  -1.421   1.869  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -7.089  -1.054   2.809  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.855  -0.675   2.207  0.00  0.00    +0.017 A 
ENDBRANCH  18  22
ENDBRANCH   3  16
TORSDOF 3