REMARK  Name = LIG000431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.772  -2.555  -0.717  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.343  -1.362  -0.081  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.993  -1.271  -0.349  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.242  -0.216   0.136  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.912   0.715   0.848  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -3.238   0.568   1.063  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.707  -2.351  -1.129  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.817  -2.592  -1.549  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -4.009  -0.447   0.648  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.757  -3.165  -1.353  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.733  -3.193  -2.147  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.159  -3.129  -0.730  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.209  -4.506  -0.065  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.123  -0.100  -0.105  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.600  -0.992  -0.159  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.821   0.871   0.723  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.295   0.813   0.398  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        2.779   1.359  -0.797  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.141   1.287  -1.116  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.063   0.667  -0.254  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.556   0.110   0.934  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.196   0.179   1.258  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.503   0.582  -0.568  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1        7.172  -0.487  -0.056  0.00  0.00    -0.252 NA
ATOM     25  C   LIG    1        8.492  -0.571  -0.346  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        9.146   0.373  -1.115  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        8.510   1.447  -1.628  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        7.186   1.528  -1.335  0.00  0.00    +0.139 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  29
ATOM     29  S   LIG    1       -4.058   1.813   2.036  0.00  0.00    -0.084 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.011   3.253   1.630  0.00  0.00    +0.105 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.596   4.532   2.222  0.00  0.00    +0.167 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.747   4.946   1.492  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -5.153   5.678   1.986  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 9