REMARK  Name = LIG000213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.073   0.090  -0.483  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.782  -0.562   0.522  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.273  -1.218   1.108  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1        0.549   0.654  -1.461  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.754  -0.556  -2.750  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -2.254  -0.252  -1.368  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.399   0.047  -0.309  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -1.958   0.326   0.943  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.347   0.286   1.112  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.140  -0.036  -0.007  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.518  -0.078   0.156  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.122   0.191   1.388  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.335   0.511   2.489  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.949   0.560   2.353  0.00  0.00    +0.010 A 
ATOM     15  N   LIG    1       -3.607  -0.298  -1.213  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.134  -0.786   0.522  0.00  0.00    -0.187 NA
ATOM     17  C   LIG    1        2.905   0.116   0.002  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.362  -0.074  -0.081  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.973  -1.223   0.401  0.00  0.00    +0.120 A 
ATOM     20  N   LIG    1        6.311  -1.438   0.350  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        7.061  -0.464  -0.212  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.538   0.715  -0.723  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.161   0.914  -0.655  0.00  0.00    +0.012 A 
ENDBRANCH  17  18
ENDBRANCH   2  16
TORSDOF 3