REMARK  Name = LIG000312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.171  -0.423  -0.416  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.122   0.250   0.363  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.464  -0.044   0.173  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.664   0.536   0.842  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.754  -0.249   0.277  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.318  -1.082  -0.744  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.981  -1.762  -1.503  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.855  -0.988  -0.770  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.949  -1.668  -1.556  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.594  -1.378  -1.370  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.148   0.119   0.499  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.637   1.113  -0.566  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.906   1.935  -1.117  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.994   1.125  -0.801  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.317   1.802  -1.478  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.967   0.399  -0.163  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.157   0.603  -0.385  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.502  -0.588   0.883  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.093  -1.078   0.590  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.867   0.703   0.508  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.220  -0.209  -0.306  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.794  -0.750  -0.942  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.344   1.532   1.243  0.00  0.00    -0.270 OA
BRANCH  20  29
ATOM     24  C   LIG    1        8.212  -0.545   0.027  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        7.552   0.660   0.234  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        6.149   0.687   0.308  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.447  -0.530   0.168  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        4.062  -0.517   0.241  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        3.355   0.676   0.433  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        4.052   1.877   0.587  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        6.072  -1.698  -0.032  0.00  0.00    -0.251 NA
ATOM     32  C   LIG    1        5.445   1.884   0.521  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1        7.427  -1.682  -0.098  0.00  0.00    +0.157 A 
BRANCH  24  35
ATOM     34  C   LIG    1       10.381   0.422   0.070  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        9.560  -0.732  -0.068  0.00  0.00    -0.494 OA
ENDBRANCH  24  35
ENDBRANCH  20  29
ENDBRANCH   1  21
TORSDOF 4