REMARK  Name = BDB013993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.372  -0.446   0.761  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.605  -0.188  -0.528  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.989   0.735  -1.265  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.499  -0.979  -0.844  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        1.047  -2.070  -0.062  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.345  -2.872   0.866  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.044  -3.897   1.566  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.393  -4.155   1.368  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.085  -3.391   0.454  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.124  -2.855   1.223  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        2.421  -2.376  -0.242  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.020  -1.807   0.612  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.002   0.868   2.096  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.380   0.605   0.900  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -2.484   1.228   0.104  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -2.833   0.155   3.087  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.997   2.058   2.083  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -3.348   3.339   1.565  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -5.880   2.650   3.505  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.470   2.296   3.466  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -4.324   1.428   3.995  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.147  -0.642  -2.132  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.294   0.357  -2.074  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        3.373   0.326  -3.005  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.423   1.252  -2.966  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        5.392   1.005  -3.997  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.071  -0.070  -4.788  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        4.400   2.258  -1.974  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        3.346   2.327  -1.068  0.00  0.00    +0.001 A 
ATOM     30  S   LIG    1        3.610  -0.795  -4.308  0.00  0.00    -0.096 S 
ATOM     31  C   LIG    1        2.314   1.400  -1.125  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5