REMARK  Name = BDB023023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.658   0.449  -0.091  0.00  0.00    +0.165 C 
ATOM      2  C   LIG    1        1.811  -0.191  -1.483  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        2.495   0.705  -2.520  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.336  -0.415  -1.839  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -0.323   0.841  -1.239  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        0.561   1.377  -0.223  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.673   0.685  -0.724  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -2.042   0.205   0.513  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.431   0.228   0.581  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -4.016  -0.228   1.771  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -3.221  -0.654   2.770  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -1.889  -0.632   2.570  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.904   0.738  -0.659  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -1.215  -0.215   1.488  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.805   1.015  -1.442  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -5.386  -0.247   1.997  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -5.577  -0.333   2.989  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -5.902   0.464   1.499  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  O   LIG    1        2.491  -1.450  -1.446  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        3.379  -1.286  -1.069  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   4  21
ATOM     21  O   LIG    1       -0.105  -1.646  -1.251  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1        0.673  -2.241  -1.283  0.00  0.00    +0.210 HD
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1        2.872   1.182   0.484  0.00  0.00    +0.103 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.796  -0.868   2.108  0.00  0.00    +0.084 C 
ATOM     25  S   LIG    1        4.352   0.132   0.702  0.00  0.00    -0.161 S 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6