REMARK  Name = LIG000313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.448   2.717  -0.700  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -1.982   1.490  -0.313  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -0.609   1.625  -0.285  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.123   0.491   0.089  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -0.574  -0.635   0.390  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -1.927  -0.659   0.329  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -0.226   2.896  -0.659  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -2.691   0.393  -0.022  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -1.358   3.526  -0.897  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -2.562  -1.836   0.673  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -3.943  -2.066   0.242  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -4.058  -3.436  -0.447  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -3.647  -4.539   0.374  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -2.627  -4.197   1.325  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -1.735  -3.026   0.885  0.00  0.00    +0.136 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     16  C   LIG    1       -4.157   3.463  -2.318  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -3.846   3.087  -0.870  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -4.256   4.199   0.095  0.00  0.00    +0.030 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  N   LIG    1        1.525   0.517   0.169  0.00  0.00    -0.320 N 
ATOM     20  H   LIG    1        1.853   1.329  -0.356  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.156  -0.729  -0.254  0.00  0.00    +0.177 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.641  -0.714  -0.066  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1        4.205  -0.191   1.073  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        3.681   0.229   1.829  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        5.567  -0.310   0.971  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        5.766  -0.919  -0.262  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        7.071  -1.194  -0.692  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        8.141  -0.842   0.143  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1        7.913  -0.226   1.384  0.00  0.00    +0.061 A 
ATOM     30 CL   LIG    1        9.210   0.223   2.439  0.00  0.00    -0.082 Cl
ATOM     31 CL   LIG    1        9.736  -1.199  -0.425  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        6.610   0.055   1.825  0.00  0.00    +0.049 A 
ATOM     33  N   LIG    1        4.570  -1.161  -0.889  0.00  0.00    -0.231 NA
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5