REMARK  Name = LIG000248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.148  -1.711  -0.959  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.726  -0.470  -0.735  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -4.085  -0.121  -0.281  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1       -4.176   1.263  -0.295  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -2.896   1.889  -0.575  0.00  0.00    +0.145 C 
ATOM      6  O   LIG    1       -4.945  -0.900   0.080  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.027   0.727  -0.910  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -0.705   0.720  -1.318  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.086  -0.516  -1.561  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.810  -1.720  -1.375  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.292   2.038   0.235  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.377   1.874   1.753  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.456   2.207   2.501  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.513   1.297   2.259  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.544   1.190   3.263  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.553   0.722   1.578  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.488   0.207   2.189  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.489   0.728   0.072  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.629   1.850  -0.479  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -2.340  -4.086  -0.999  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.922  -2.813  -0.759  0.00  0.00    -0.494 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1        1.363  -0.559  -1.975  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.222  -0.360  -0.830  0.00  0.00    -0.295 N 
ATOM     24  H   LIG    1        1.952  -0.851   0.010  0.00  0.00    +0.151 HD
ATOM     25  C   LIG    1        3.584  -0.253  -1.030  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1        4.243  -0.134   0.173  0.00  0.00    -0.269 N 
ATOM     27  H   LIG    1        3.652   0.071   0.966  0.00  0.00    +0.156 HD
ATOM     28  O   LIG    1        4.082  -0.254  -2.147  0.00  0.00    -0.252 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.634  -0.078   0.390  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        6.072   0.194   1.691  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        7.439   0.257   1.985  0.00  0.00    +0.046 A 
ATOM     32 CL   LIG    1        7.896   0.601   3.616  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        8.398   0.047   0.986  0.00  0.00    -0.032 A 
ATOM     34  C   LIG    1        9.872   0.108   1.268  0.00  0.00    +0.045 C 
ATOM     35  C   LIG    1        7.952  -0.231  -0.313  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1        6.585  -0.295  -0.607  0.00  0.00    +0.024 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 5