REMARK  Name = LIG000700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.142  -2.707   3.601  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.317  -2.184   2.468  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        2.373  -0.933   1.868  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        3.303   0.156   2.315  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        1.425  -0.827   0.765  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.327   0.287  -0.194  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1        0.212   0.811  -0.574  0.00  0.00    -0.271 NA
ATOM      8  C   LIG    1       -1.069   0.328  -0.048  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1       -1.311  -1.079  -0.501  0.00  0.00    +0.164 A 
ATOM     10  N   LIG    1       -0.518  -2.129  -0.069  0.00  0.00    -0.275 N 
ATOM     11  C   LIG    1       -1.164  -3.257  -0.560  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -0.714  -4.662  -0.421  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1       -2.218  -2.891  -1.262  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1       -2.308  -1.531  -1.230  0.00  0.00    -0.132 NA
ATOM     15  C   LIG    1        0.627  -1.959   0.717  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1        1.113  -3.174   1.780  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1        2.588   0.818  -0.799  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.664  -0.026  -1.101  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.826   0.498  -1.676  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        4.912   1.863  -1.963  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.833   2.704  -1.682  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        2.671   2.182  -1.107  0.00  0.00    +0.011 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.102   2.395  -2.550  0.00  0.00    -0.059 C 
ATOM     24  C   LIG    1        7.106   2.839  -3.038  0.00  0.00    -0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1        8.312   3.368  -3.621  0.00  0.00    +0.311 C 
ATOM     26  O   LIG    1        9.377   3.304  -3.026  0.00  0.00    -0.287 OA
ENDBRANCH  24  25
ENDBRANCH  20  23
ENDBRANCH   6  17
BRANCH   8  27
ATOM     27  C   LIG    1       -2.155   1.281  -0.553  0.00  0.00    +0.155 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.459   1.007   0.149  0.00  0.00    +0.310 C 
ATOM     29  O   LIG    1       -3.549   0.709   1.333  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.496   1.193  -0.709  0.00  0.00    -0.459 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.859   0.923  -0.294  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1       -6.039  -0.547   0.101  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.300   1.876   0.823  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -6.709   1.204  -1.543  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7