REMARK  Name = LIG001010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.794   0.157  -0.914  0.00  0.00    +0.322 A 
ATOM      2  N   LIG    1       -2.516   1.136  -0.333  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1       -1.751   1.907   0.452  0.00  0.00    +0.169 A 
ATOM      4  C   LIG    1       -0.393   1.778   0.686  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.054   2.760   1.547  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.019   3.466   1.837  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.268   0.725   0.028  0.00  0.00    +0.154 A 
ATOM      8  N   LIG    1       -2.133   2.984   1.201  0.00  0.00    -0.315 N 
ATOM      9  N   LIG    1       -0.472  -0.078  -0.777  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        1.640   0.496   0.212  0.00  0.00    -0.320 N 
ATOM     11  H   LIG    1        2.054   1.342   0.606  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.321   0.038  -0.995  0.00  0.00    +0.177 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.764  -0.282  -0.748  0.00  0.00    +0.125 A 
ATOM     14  N   LIG    1        4.141  -1.061   0.319  0.00  0.00    -0.341 N 
ATOM     15  H   LIG    1        3.502  -1.444   1.003  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        5.506  -1.184   0.299  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        5.900  -0.448  -0.813  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        7.261  -0.360  -1.134  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        8.188  -1.020  -0.316  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        7.765  -1.755   0.803  0.00  0.00    +0.061 A 
ATOM     21 CL   LIG    1        8.882  -2.581   1.835  0.00  0.00    -0.082 Cl
ATOM     22 CL   LIG    1        9.859  -0.884  -0.747  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.404  -1.851   1.134  0.00  0.00    +0.049 A 
ATOM     24  N   LIG    1        4.814   0.103  -1.446  0.00  0.00    -0.231 NA
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   8  25
ATOM     25  C   LIG    1       -3.469   3.530   1.290  0.00  0.00    +0.121 C 
ATOM     26  C   LIG    1       -4.319   2.808   2.321  0.00  0.00    +0.027 C 
ENDBRANCH   8  25
BRANCH   1  27
ATOM     27  O   LIG    1       -2.424  -0.739  -1.752  0.00  0.00    -0.462 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.827  -0.547  -1.913  0.00  0.00    +0.232 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.636  -1.206  -0.792  0.00  0.00    +0.041 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -4.587  -3.575  -1.739  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -4.298  -2.679  -0.545  0.00  0.00    -0.000 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8