REMARK  Name = LIG000372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.053   0.082   0.850  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.904  -0.382   2.137  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.775   0.041   2.972  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -1.252  -0.182   4.405  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.228  -1.346   4.279  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.909  -1.065   2.939  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.197   0.816   0.340  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.459  -0.813   2.619  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.085  -0.413   1.459  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.586   0.256   0.872  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.817  -1.787   3.277  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.187  -1.152   0.873  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        1.693  -2.400   0.136  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        2.997  -0.245  -0.035  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        2.450   0.310  -1.202  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.213   1.147  -2.022  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.540   1.454  -1.698  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1        5.085   0.906  -0.528  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.322   0.070   0.293  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1        5.348   2.368  -2.603  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        5.754   3.655  -1.882  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        6.575   1.653  -3.175  0.00  0.00    +0.012 C 
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1       -3.138  -1.341   5.366  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -3.713  -2.121   5.276  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -3.298  -0.359   0.037  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -4.977   2.976  -0.605  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -4.726   1.648   0.055  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -3.800   0.864  -0.597  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -3.129   1.360  -1.174  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -5.294   1.310   1.089  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -2.986  -1.477  -1.010  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -4.289  -1.855  -1.748  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -1.947  -1.045  -2.063  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -2.463  -2.745  -0.307  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 8