REMARK  Name = BDB029875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803  -0.456   0.383  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.213  -1.316   0.005  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.086  -1.956  -0.784  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.577   0.541   1.069  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.091  -3.330  -2.139  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.788  -2.129  -1.295  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -2.480  -1.868  -0.880  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -1.505  -2.701  -1.279  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -2.183  -0.768  -0.074  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -3.223   0.086   0.330  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -4.548  -0.159  -0.060  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.815  -1.275  -0.869  0.00  0.00    +0.016 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.647   0.704   0.349  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.964   0.441   0.034  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.658   1.424   0.561  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -6.847   2.313   1.202  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -7.279   3.506   1.883  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -5.559   1.872   1.079  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        1.639  -0.779   0.182  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.609   0.109   0.711  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.458  -0.522  -1.299  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.933  -1.496  -2.235  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.390   0.896  -1.568  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.126  -0.994  -0.845  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.799  -0.014   0.125  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1        5.412   1.199  -0.608  0.00  0.00    +0.086 C 
ATOM     27  N   LIG    1        6.752   0.880  -1.089  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1        7.097   1.630  -1.690  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        7.695   0.672   0.015  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1        7.042   0.139   1.294  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        5.861  -0.764   0.961  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6