REMARK  Name = LIG001876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.255  -0.504   0.083  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1        1.466  -1.823  -0.088  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.334  -2.528  -0.211  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.957  -2.042  -0.176  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.876  -3.057  -0.348  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.147  -4.146  -0.475  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -1.100  -0.660   0.006  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1        0.197  -3.878  -0.399  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1        0.033   0.077   0.131  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.931   2.562   1.048  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        5.707   2.975   0.271  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1        4.685   2.047   0.172  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1        3.450   2.416  -0.526  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        2.194   1.759   0.076  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1        2.358   0.311   0.235  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1        3.693  -0.264   0.112  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        4.750   0.684   0.710  0.00  0.00    +0.126 C 
ATOM     18  O   LIG    1        5.646   4.089  -0.248  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   8  19
ATOM     19  C   LIG    1        1.282  -4.842  -0.500  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        1.229  -5.870   0.630  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1        1.306  -5.521  -1.869  0.00  0.00    +0.030 C 
ENDBRANCH   8  19
BRANCH   7  22
ATOM     22  N   LIG    1       -2.367  -0.058   0.076  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1       -3.047  -0.711  -0.316  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.419   1.260  -0.547  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.753   1.921  -0.381  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1       -4.408   1.899   0.827  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1       -4.063   1.433   1.656  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1       -5.592   2.573   0.685  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -5.596   2.984  -0.643  0.00  0.00    +0.091 A 
ATOM     30  C   LIG    1       -6.685   3.715  -1.135  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1       -7.744   4.009  -0.265  0.00  0.00    +0.061 A 
ATOM     32  C   LIG    1       -7.717   3.582   1.072  0.00  0.00    +0.061 A 
ATOM     33 CL   LIG    1       -9.007   3.926   2.173  0.00  0.00    -0.082 Cl
ATOM     34 CL   LIG    1       -9.070   4.914  -0.913  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1       -6.631   2.849   1.576  0.00  0.00    +0.049 A 
ATOM     36  N   LIG    1       -4.456   2.573  -1.286  0.00  0.00    -0.231 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5