REMARK  Name = BDB003547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.200  -0.005  -0.373  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.150   0.061  -1.392  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.509  -0.134  -1.080  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.933  -0.368   0.238  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -1.965  -0.413   1.249  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.615  -0.222   0.951  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.358  -0.573   0.554  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -5.329   0.451   0.469  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -6.672   0.168   0.766  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -7.063  -1.111   1.160  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.115  -2.124   1.258  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.779  -1.857   0.956  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  S   LIG    1       -4.950   2.138  -0.013  0.00  0.00    -0.128 S 
ATOM     14  C   LIG    1       -4.384   2.768   1.587  0.00  0.00    +0.090 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  N   LIG    1        2.145  -0.786  -0.297  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1        1.235   0.236  -0.584  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        1.559   1.342  -1.002  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        1.781  -2.197  -0.207  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        3.566  -0.501  -0.510  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.185   0.510   0.485  0.00  0.00    +0.006 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.460   1.875  -1.287  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        5.555   1.009  -0.038  0.00  0.00    +0.002 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1        4.394  -0.096   1.893  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        3.120  -0.250   2.710  0.00  0.00    +0.004 C 
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   2  25
ATOM     25  S   LIG    1       -0.764   0.349  -3.103  0.00  0.00    -0.005 S 
ATOM     26  O   LIG    1       -1.757  -0.404  -3.854  0.00  0.00    -0.170 OA
ATOM     27  O   LIG    1       -0.650   1.781  -3.287  0.00  0.00    -0.170 OA
ATOM     28  C   LIG    1        0.776  -0.413  -3.509  0.00  0.00    +0.200 C 
ENDBRANCH   2  25
TORSDOF 8