REMARK  Name = BDB003541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743  -3.261  -0.144  0.00  0.00    +0.285 C 
ATOM      2  N   LIG    1       -1.415  -2.063  -0.142  0.00  0.00    -0.258 N 
ATOM      3  H   LIG    1       -0.866  -1.212  -0.129  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.250  -4.377  -0.161  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.583  -1.921  -0.095  0.00  0.00    +0.136 A 
ATOM      6  O   LIG    1        1.220  -1.814  -0.111  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        0.699  -3.082  -0.126  0.00  0.00    +0.190 A 
ATOM      8  C   LIG    1        1.729  -4.000  -0.120  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        2.935  -3.258  -0.101  0.00  0.00    +0.050 A 
BRANCH   5  13
ATOM     10  C   LIG    1        4.806   1.754  -0.044  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.468   0.523  -0.061  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.736  -0.673  -0.077  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.333  -0.666  -0.078  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.680   0.575  -0.061  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.407   1.772  -0.045  0.00  0.00    +0.012 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.043   3.047  -0.017  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        5.537   3.056  -0.027  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1        4.908   4.112  -0.021  0.00  0.00    -0.292 OA
ENDBRANCH  10  17
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1       -2.765  -1.851  -0.148  0.00  0.00    +0.165 A 
ATOM     20  S   LIG    1       -3.909  -3.110  -0.153  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1       -5.174  -1.952  -0.145  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -4.643  -0.674  -0.149  0.00  0.00    +0.098 A 
ATOM     23  N   LIG    1       -3.252  -0.635  -0.151  0.00  0.00    -0.223 NA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.447   0.548  -0.135  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1       -4.884   1.620   0.477  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1       -5.595   2.767   0.508  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -6.856   2.906  -0.044  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.422   1.803  -0.671  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.711   0.605  -0.721  0.00  0.00    +0.030 A 
ENDBRANCH  22  24
ENDBRANCH   2  19
TORSDOF 5