REMARK  Name = BDB003403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.335   0.168  -1.744  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.538   1.310  -1.465  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.853   2.097  -0.327  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        0.031   3.209  -0.024  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.055   3.560  -0.825  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.351   2.805  -1.948  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.961   1.725   0.473  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.719   0.577   0.204  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -0.567   1.696  -2.262  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.403  -0.188  -0.915  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.038  -0.690  -2.848  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        0.712  -0.276  -3.718  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1        0.374  -2.216  -2.559  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1       -0.069  -2.706  -3.847  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1        1.283  -2.983  -1.734  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -3.351  -1.307  -0.068  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -3.418  -1.317  -1.466  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -2.287  -1.600  -2.233  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -1.075  -1.860  -1.591  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -1.000  -1.880  -0.196  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -2.139  -1.594   0.564  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.526  -1.008   1.978  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.531  -1.008   0.555  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  O   LIG    1        2.338   2.503   1.544  0.00  0.00    -0.505 OA
ATOM     25  H   LIG    1        2.247   3.434   1.279  0.00  0.00    +0.292 HD
ENDBRANCH   7  24
BRANCH   8  26
ATOM     26  S   LIG    1        4.112   0.061   1.203  0.00  0.00    -0.110 S 
BRANCH  26  27
ATOM     27  C   LIG    1        3.235  -0.299   2.769  0.00  0.00    +0.194 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.145  -0.903   3.818  0.00  0.00    +0.315 C 
ATOM     29  O   LIG    1        3.728  -1.322   4.891  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.462  -0.932   3.511  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        5.619  -0.569   2.613  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 9