REMARK  Name = LIG001013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.949   0.027   0.210  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.580  -1.073  -0.229  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.735  -2.012  -0.671  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.356  -1.934  -0.714  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.193  -3.091  -1.225  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.844  -3.859  -1.490  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.222  -0.746  -0.240  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -2.032  -3.251  -1.173  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.613   0.224   0.213  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.352  -3.842  -1.342  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -4.210  -3.060  -2.336  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.072  -4.037  -0.008  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.784   1.026   0.690  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -3.705   0.840   0.298  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.347   2.406   0.465  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.971   3.153   2.821  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.222   3.337   1.329  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.486   2.774  -1.030  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.834   2.592  -1.473  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.842   2.776  -2.428  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.615  -0.553  -0.251  0.00  0.00    -0.320 N 
ATOM     22  H   LIG    1        2.049  -1.472  -0.360  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.101   0.160   0.928  0.00  0.00    +0.177 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.574   0.425   0.871  0.00  0.00    +0.125 A 
ATOM     25  N   LIG    1        4.178   0.821  -0.298  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        3.696   0.935  -1.180  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1        5.516   0.988  -0.056  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.662   0.675   1.291  0.00  0.00    +0.091 A 
ATOM     29  C   LIG    1        6.931   0.743   1.881  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1        8.021   1.126   1.087  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        7.848   1.435  -0.271  0.00  0.00    +0.061 A 
ATOM     32 CL   LIG    1        9.171   1.911  -1.281  0.00  0.00    -0.082 Cl
ATOM     33 CL   LIG    1        9.570   1.197   1.855  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1        6.582   1.370  -0.873  0.00  0.00    +0.049 A 
ATOM     35  N   LIG    1        4.456   0.329   1.847  0.00  0.00    -0.231 NA
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 9