REMARK  Name = LIG001404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.409  -2.635  -3.583  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.660  -2.133  -2.390  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        1.821  -0.934  -1.710  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        2.807   0.120  -2.122  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        0.916  -0.839  -0.567  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.926   0.220   0.452  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -0.130   0.790   0.910  0.00  0.00    -0.271 NA
ATOM      8  C   LIG    1       -1.501   0.442   0.532  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1       -1.808  -0.999   0.777  0.00  0.00    +0.164 A 
ATOM     10  N   LIG    1       -1.103  -2.055   0.226  0.00  0.00    -0.275 N 
ATOM     11  C   LIG    1       -1.828  -3.176   0.621  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -1.484  -4.593   0.357  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1       -2.854  -2.803   1.359  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1       -2.841  -1.446   1.459  0.00  0.00    -0.132 NA
ATOM     15  C   LIG    1        0.037  -1.909  -0.571  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1        0.404  -3.075  -1.734  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1        2.243   0.648   1.016  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.435   1.990   1.359  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.655   2.408   1.901  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        4.696   1.495   2.111  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        4.483   0.145   1.800  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.265  -0.278   1.256  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.947   1.980   2.710  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        7.162   1.486   2.428  0.00  0.00    +0.043 C 
BRANCH  24  25
ATOM     25  C   LIG    1        8.365   2.059   3.074  0.00  0.00    +0.251 C 
ATOM     26  O   LIG    1        8.333   2.990   3.868  0.00  0.00    -0.296 OA
ENDBRANCH  24  25
ENDBRANCH  20  23
ENDBRANCH   6  17
BRANCH   8  27
ATOM     27  C   LIG    1       -1.841   0.942  -0.868  0.00  0.00    +0.155 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.281   0.681  -1.214  0.00  0.00    +0.310 C 
ATOM     29  O   LIG    1       -3.623  -0.067  -2.119  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.102   1.405  -0.413  0.00  0.00    -0.459 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.543   1.267  -0.510  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1       -6.055   1.730  -1.879  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.099   2.211   0.567  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -5.989  -0.163  -0.185  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7