REMARK  Name = LIG001958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.088   1.036  -1.196  0.00  0.00    +0.186 A 
ATOM      2  C   LIG    1        3.366   1.582  -2.409  0.00  0.00    +0.293 A 
ATOM      3  O   LIG    1        3.961   2.345  -3.172  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1        2.042   1.194  -2.611  0.00  0.00    -0.308 N 
ATOM      5  C   LIG    1        1.351   1.704  -3.785  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.359   0.332  -1.706  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        2.034  -0.147  -0.579  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.379  -0.996   0.332  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.040  -1.370   0.153  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.611  -0.910  -0.992  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        0.032  -0.064  -1.906  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        3.428   0.227  -0.350  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -0.555  -2.255   1.073  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.022  -2.441   1.887  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.925  -2.448   1.392  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -2.280  -3.518   2.202  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1       -1.137  -4.603   2.892  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1       -3.621  -3.666   2.450  0.00  0.00    +0.137 A 
ATOM     19  N   LIG    1       -4.565  -2.841   1.957  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1       -4.160  -1.825   1.181  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1       -2.865  -1.620   0.886  0.00  0.00    -0.198 NA
BRANCH  20  22
ATOM     22  N   LIG    1       -5.106  -0.969   0.655  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1       -6.469  -0.995   1.175  0.00  0.00    +0.114 C 
ATOM     24  C   LIG    1       -6.959   0.426   1.396  0.00  0.00    +0.094 C 
ATOM     25  C   LIG    1       -6.899   1.211   0.101  0.00  0.00    +0.252 C 
ATOM     26  F   LIG    1       -6.727   2.526   0.405  0.00  0.00    -0.206 F 
ATOM     27  F   LIG    1       -8.104   1.133  -0.529  0.00  0.00    -0.206 F 
ATOM     28  C   LIG    1       -5.822   0.779  -0.873  0.00  0.00    +0.094 C 
ATOM     29  C   LIG    1       -4.647   0.179  -0.119  0.00  0.00    +0.114 C 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  O   LIG    1        5.407   1.433  -1.062  0.00  0.00    -0.477 OA
BRANCH  30  31
ATOM     31  C   LIG    1        6.134   1.008   0.078  0.00  0.00    +0.324 C 
BRANCH  31  35
ATOM     32  C   LIG    1        9.517   2.093   1.427  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        8.179   1.573   1.288  0.00  0.00    -0.316 N 
ATOM     34  H   LIG    1        7.586   1.579   2.107  0.00  0.00    +0.148 HD
ATOM     35  C   LIG    1        7.589   1.488   0.036  0.00  0.00    +0.250 C 
ATOM     36  O   LIG    1        8.197   1.744  -0.999  0.00  0.00    -0.272 OA
ENDBRANCH  31  35
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6