REMARK  Name = LIG000757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.205   2.194  -1.233  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.664   1.100  -0.584  0.00  0.00    +0.172 A 
ATOM      3  C   LIG    1       -0.296   1.237  -0.718  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.497   0.241  -0.132  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -0.137  -0.770   0.512  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -1.485  -0.818   0.586  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1        0.032   2.374  -1.418  0.00  0.00    -0.230 NA
ATOM      8  N   LIG    1       -2.304   0.105   0.051  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1       -1.130   2.919  -1.711  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.465   4.399  -2.434  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.460   3.500  -1.919  0.00  0.00    -0.272 N 
ATOM     12  N   LIG    1       -5.840   2.405  -1.238  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -4.686   1.812  -0.913  0.00  0.00    +0.160 A 
ATOM     14  C   LIG    1       -3.572   2.528  -1.390  0.00  0.00    +0.087 A 
ATOM     15  C   LIG    1       -4.104   3.621  -2.041  0.00  0.00    +0.134 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -2.059  -1.863   1.282  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -1.276  -3.077   1.534  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -2.060  -4.315   1.067  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.344  -4.464   1.692  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1       -3.943  -3.216   2.075  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1       -3.512  -2.030   1.200  0.00  0.00    +0.136 C 
ENDBRANCH   6  16
BRANCH   4  22
ATOM     22  N   LIG    1        1.898   0.273  -0.223  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1        2.178   1.221  -0.481  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.568  -0.205   0.983  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.058  -0.233   0.838  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        4.650  -0.738  -0.295  0.00  0.00    -0.340 N 
ATOM     27  H   LIG    1        4.145  -1.093  -1.096  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        6.009  -0.636  -0.153  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        6.179  -0.054   1.102  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1        7.473   0.199   1.577  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        8.549  -0.146   0.759  0.00  0.00    +0.161 A 
ATOM     32  C   LIG    1        8.353  -0.725  -0.493  0.00  0.00    +0.160 A 
ATOM     33  F   LIG    1        9.412  -1.042  -1.252  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1        9.795   0.088   1.194  0.00  0.00    -0.202 F 
ATOM     35  C   LIG    1        7.073  -0.986  -0.987  0.00  0.00    +0.069 A 
ATOM     36  N   LIG    1        4.966   0.188   1.696  0.00  0.00    -0.231 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5