REMARK  Name = BDB003483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.695   2.309   4.300  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -0.914   2.435   3.359  0.00  0.00    +0.170 C 
ATOM      3  C   LIG    1       -0.836   1.542   2.213  0.00  0.00    +0.060 A 
ATOM      4  S   LIG    1       -1.857   0.211   2.049  0.00  0.00    -0.070 S 
ATOM      5  C   LIG    1       -1.238  -0.196   0.496  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1       -0.138   0.612   0.182  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        0.042   1.673   1.155  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        1.009   2.823   1.104  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        0.503   3.999   1.950  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1        0.121   3.555   3.365  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.658   0.382  -1.032  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        1.989   0.714  -0.934  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1        2.374   0.856  -0.010  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        0.196  -0.145  -2.042  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.937   0.518  -2.026  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.233  -0.968  -2.314  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  O   LIG    1        2.228  -1.538  -3.158  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        1.359  -1.186  -2.865  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        4.583  -1.141  -3.016  0.00  0.00    +0.188 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.649  -0.679  -2.194  0.00  0.00    -0.392 OA
ATOM     21  H   LIG    1        6.475  -0.907  -2.657  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6  11
BRANCH   5  22
ATOM     22  N   LIG    1       -1.685  -1.235  -0.267  0.00  0.00    -0.306 N 
ATOM     23  H   LIG    1       -1.137  -1.468  -1.102  0.00  0.00    +0.153 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.908  -1.945  -0.283  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -2.925  -3.212  -0.899  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1       -1.805  -3.670  -1.484  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -4.062  -4.015  -0.931  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -5.227  -3.556  -0.331  0.00  0.00    +0.016 A 
ATOM     29  I   LIG    1       -6.941  -4.728  -0.361  0.00  0.00    -0.044 I 
ATOM     30  C   LIG    1       -5.250  -2.307   0.288  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1       -4.095  -1.511   0.312  0.00  0.00    +0.027 A 
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 8