REMARK  Name = BDB060046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.881   0.160  -0.145  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -1.640   0.610  -0.629  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.297   1.986  -0.465  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -2.222   2.825   0.196  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.910   4.167   0.376  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.709   4.713  -0.080  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.204   3.906  -0.740  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -3.397   2.382   0.666  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -0.090   2.558  -0.938  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.703   1.077   0.491  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.390  -1.227  -0.231  0.00  0.00    +0.342 C 
ATOM     12  O   LIG    1       -4.257  -1.670   0.506  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -2.807  -1.899  -1.258  0.00  0.00    -0.461 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -2.493  -3.882  -2.550  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -3.272  -3.247  -1.415  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  N   LIG    1       -0.696  -0.304  -1.188  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -1.182  -1.071  -1.661  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.468  -0.811  -0.551  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        0.963  -0.307   0.658  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        2.158  -0.795   1.194  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        2.890  -1.769   0.520  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.416  -2.271  -0.689  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        1.219  -1.787  -1.223  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  N   LIG    1        2.679  -0.224   2.395  0.00  0.00    -0.221 N 
ATOM     25  H   LIG    1        1.969   0.047   3.079  0.00  0.00    +0.173 HD
BRANCH  24  26
ATOM     26  S   LIG    1        3.757   1.074   2.214  0.00  0.00    +0.040 S 
ATOM     27  O   LIG    1        3.756   1.552   0.850  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1        3.482   1.959   3.326  0.00  0.00    -0.155 OA
ATOM     29  C   LIG    1        5.309   0.271   2.544  0.00  0.00    +0.218 C 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7