REMARK  Name = BDB029810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -1.208   2.049  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.331  -2.407   2.352  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.105  -3.277   1.867  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.138  -0.139   2.480  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.116   0.021  -0.156  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.023  -0.021   0.726  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.466  -1.242   1.140  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.014  -2.430   0.663  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.492  -3.612   1.030  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.104  -2.402  -0.206  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.785  -3.872  -0.795  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        2.654  -1.186  -0.617  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        4.892   3.653  -2.100  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        3.863   2.906  -1.424  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        3.799   1.547  -1.288  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        2.644   1.312  -0.571  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        2.018   2.503  -0.276  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        2.774   3.441  -0.801  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.758  -2.296   2.886  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.918  -1.401   3.370  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.991  -2.537   1.722  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -3.792  -3.842   1.128  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -5.245  -2.110   2.298  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.711  -1.435   0.442  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1       -3.624  -0.061   0.498  0.00  0.00    +0.136 A 
ATOM     26  N   LIG    1       -3.290   0.334  -0.764  0.00  0.00    -0.273 N 
ATOM     27  C   LIG    1       -3.024   1.681  -1.210  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -3.177  -0.691  -1.635  0.00  0.00    -0.178 NA
ATOM     29  C   LIG    1       -3.453  -1.770  -0.894  0.00  0.00    +0.163 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5