REMARK  Name = BDB029876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.099   0.851  -0.430  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -1.108   0.945  -1.417  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.206   1.272  -1.070  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.535   1.534   0.258  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1        1.781   1.903   0.592  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -0.432   1.436   1.263  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -0.074   1.744   2.685  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.749   1.100   0.908  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -5.610   0.168  -0.863  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -4.601   0.641  -0.068  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.453   0.490  -0.818  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1       -3.757  -0.060  -2.043  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -5.059  -0.236  -2.042  0.00  0.00    +0.200 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -7.015   0.123  -0.526  0.00  0.00    +0.150 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -7.406  -1.194   0.137  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -9.216  -0.615   1.571  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1       -8.814  -1.261   0.369  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.218   1.373  -2.135  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1        2.376   0.638  -2.009  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1        3.035   0.655  -2.791  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1        1.002   2.082  -3.112  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1        2.480  -0.558  -1.083  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1        1.685  -1.209  -1.130  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.922  -1.463  -1.245  0.00  0.00    +0.047 S 
ATOM     25  O   LIG    1        3.484  -2.837  -1.363  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1        4.708  -0.833  -2.284  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.674  -1.227   0.383  0.00  0.00    +0.149 C 
ATOM     28  C   LIG    1        4.982   0.240   0.704  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1        6.252   0.770   0.041  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        7.447  -0.144   0.282  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        7.154  -1.579  -0.136  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        5.907  -2.123   0.556  0.00  0.00    +0.028 C 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 8