REMARK  Name = BDB013956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.779   0.613  -0.172  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.116  -0.630  -0.366  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.313  -1.612  -0.984  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.395  -0.587   0.195  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.007   0.616   0.673  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.845   1.841  -0.010  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.446   3.005   0.497  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.214   2.960   1.658  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.393   1.752   2.323  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.100   1.914  -1.317  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.797   0.588   1.832  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.402   1.726  -1.148  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.935  -0.230   0.683  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.174   0.213  -0.383  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.349  -0.256  -1.265  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.581  -0.117   1.855  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.269  -0.890   0.269  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.008  -2.349  -0.093  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.802   0.499   1.544  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.248  -0.840   1.377  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.742  -1.084   2.235  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.201  -1.808   0.129  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.078  -1.768  -1.094  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -2.701  -2.220  -2.347  0.00  0.00    +0.050 A 
ATOM     25  S   LIG    1       -3.926  -2.022  -3.522  0.00  0.00    -0.105 S 
ATOM     26  C   LIG    1       -4.988  -1.332  -2.376  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -4.418  -1.254  -1.125  0.00  0.00    +0.013 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5