REMARK  Name = LIG000682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.491   0.155   0.837  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.223   1.230   0.503  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.463   2.292   0.201  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.083   2.356   0.202  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.355   3.607  -0.186  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.748   4.294  -0.398  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.602   1.184   0.563  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.873   3.543  -0.176  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.145   0.092   0.872  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.254   3.984  -0.315  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.577   4.376  -1.756  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.583   5.118   0.657  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.240  -0.970   1.161  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -3.168  -0.794   0.791  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -1.663  -2.268   0.790  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.282  -2.724  -1.196  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -1.847  -2.554  -0.715  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.279  -3.356   1.694  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.692  -3.196   1.829  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.801  -2.310   2.222  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        2.002   1.140   0.608  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        2.375   1.937   0.094  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.579  -0.156   0.271  0.00  0.00    +0.107 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.108  -0.075   0.341  0.00  0.00    +0.054 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.758  -1.390  -0.015  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        4.974  -2.363   0.969  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.556  -3.587   0.636  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.923  -3.851  -0.682  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.707  -2.891  -1.669  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.126  -1.666  -1.339  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 10