REMARK  Name = LIG000429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.823  -0.018  -0.397  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.474  -0.734  -1.532  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.202  -1.354  -2.279  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.020  -0.612  -1.682  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.547   0.210  -0.662  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.195   0.492  -0.561  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.681  -0.063  -1.513  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -0.174  -0.899  -2.538  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.190  -1.180  -2.629  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.683   0.682   0.184  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.649   1.907   3.410  0.00  0.00    +0.141 C 
ATOM     12  N   LIG    1        5.536   0.872   2.397  0.00  0.00    -0.244 N 
ATOM     13  C   LIG    1        5.374   1.290   1.075  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        5.228   2.477   0.768  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1        5.213   0.189   0.017  0.00  0.00    +0.164 C 
ATOM     16  C   LIG    1        5.879  -1.096   0.501  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        5.269  -1.521   1.819  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        5.389  -0.436   2.861  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1        5.298  -0.717   4.058  0.00  0.00    -0.275 OA
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  C   LIG    1       -2.163   0.199  -1.425  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.862  -0.939  -0.874  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1       -2.343  -1.802  -0.750  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1       -4.192  -1.105  -0.630  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1       -4.974   0.002  -0.814  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1       -4.507   0.839  -1.118  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1       -4.567  -2.217  -0.271  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -6.367   0.117  -0.619  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -6.946   1.373  -0.867  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -8.318   1.572  -0.694  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -9.113   0.516  -0.270  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1      -10.427   0.706  -0.100  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.560  -0.733  -0.019  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1       -7.187  -0.934  -0.196  0.00  0.00    +0.026 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4