REMARK  Name = BDB015534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048   0.945   0.989  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.566  -0.183   0.476  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.295  -1.152   0.110  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.654  -1.020   0.288  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        2.063   0.169   0.842  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.255   1.174   1.182  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.300  -2.378  -0.485  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.533  -2.751  -0.092  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.160  -3.883  -0.587  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.490  -4.204  -0.090  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.563  -4.722  -1.524  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.077  -5.749  -1.962  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.209  -4.298  -2.007  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.425  -5.149  -3.061  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        0.356  -3.190  -1.500  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        3.437   0.450   1.022  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        4.033  -0.345   1.246  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.144   1.366  -0.195  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        5.560   1.079  -0.091  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.437   1.143  -1.436  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.882   3.042   0.377  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.386   4.087  -0.610  0.00  0.00    +0.058 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.891   4.073  -0.812  0.00  0.00    +0.215 C 
ATOM     24  F   LIG    1        6.229   5.180  -1.530  0.00  0.00    -0.249 F 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1       -0.886   1.989   1.367  0.00  0.00    -0.423 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.227   0.907   3.654  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.934   1.240   2.372  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -2.238   1.750   1.261  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1       -2.908   2.088   0.072  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -2.174   2.655  -1.109  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -4.284   1.838  -0.018  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -4.978   1.298   1.064  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.309   1.003   2.253  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8