REMARK  Name = BDB000137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.297   0.037   1.194  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -1.141  -0.704   1.381  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1        0.015  -0.378   0.776  0.00  0.00    -0.199 NA
ATOM      4  C   LIG    1        0.046   0.713  -0.000  0.00  0.00    +0.217 A 
ATOM      5  N   LIG    1       -1.009   1.510  -0.203  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -2.162   1.152   0.396  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.121  -1.889   2.141  0.00  0.00    -0.342 N 
ATOM      8  H   LIG    1       -1.625  -1.712   3.016  0.00  0.00    +0.144 HD
ATOM      9  H   LIG    1       -1.680  -2.593   1.666  0.00  0.00    +0.144 HD
ENDBRANCH   2   7
BRANCH   1  10
ATOM     10  C   LIG    1       -3.578  -0.315   1.844  0.00  0.00    +0.204 C 
ATOM     11  O   LIG    1       -3.585  -0.976   2.879  0.00  0.00    -0.286 OA
BRANCH  10  13
ATOM     12  C   LIG    1       -5.246  -0.281  -0.033  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1       -4.867   0.107   1.266  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.720   0.877   2.054  0.00  0.00    +0.173 A 
ATOM     15  F   LIG    1       -5.349   1.277   3.279  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -6.951   1.273   1.552  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -7.771   2.027   2.295  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -7.343   0.905   0.269  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -6.491   0.128  -0.524  0.00  0.00    +0.049 A 
BRANCH  12  21
ATOM     20  C   LIG    1       -4.693  -1.441  -2.051  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.352  -1.052  -0.724  0.00  0.00    -0.494 OA
ENDBRANCH  12  21
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  N   LIG    1        1.209   1.088  -0.650  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        1.109   2.067  -0.893  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.467   0.677  -0.035  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.919  -0.669  -0.612  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1        4.254  -1.073  -0.009  0.00  0.00    +0.111 C 
ATOM     27  N   LIG    1        5.285  -0.035  -0.259  0.00  0.00    -0.181 NA
ATOM     28  C   LIG    1        4.893   1.306   0.238  0.00  0.00    +0.111 C 
ATOM     29  C   LIG    1        3.539   1.738  -0.312  0.00  0.00    +0.039 C 
BRANCH  27  30
ATOM     30  S   LIG    1        6.144  -0.128  -1.720  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1        5.593   0.847  -2.636  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1        6.273  -1.521  -2.091  0.00  0.00    -0.158 OA
ATOM     33  C   LIG    1        7.756   0.429  -1.212  0.00  0.00    +0.215 C 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7