REMARK  Name = LIG000631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.704   0.342   1.044  0.00  0.00    +0.210 A 
ATOM      2  C   LIG    1        0.496   1.802   1.272  0.00  0.00    +0.288 A 
ATOM      3  O   LIG    1        1.474   2.535   1.328  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -0.819   2.201   1.372  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -1.901   1.343   1.182  0.00  0.00    +0.353 A 
ATOM      6  O   LIG    1       -3.049   1.761   1.344  0.00  0.00    -0.244 OA
ATOM      7  N   LIG    1       -1.575   0.015   0.825  0.00  0.00    -0.181 N 
ATOM      8  N   LIG    1       -0.283  -0.467   0.808  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -2.556  -0.993   0.489  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -2.176  -2.348   0.394  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -3.087  -3.370   0.060  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -2.604  -4.794  -0.004  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.427  -3.040  -0.191  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -5.446  -4.086  -0.549  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -4.815  -1.698  -0.113  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.895  -0.694   0.219  0.00  0.00    +0.028 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     17  N   LIG    1        2.362  -1.044  -0.069  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        1.580  -1.273  -0.675  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.087  -0.277   1.046  0.00  0.00    +0.270 C 
ATOM     20  O   LIG    1        2.829  -0.113   2.000  0.00  0.00    -0.268 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.569  -1.845  -0.157  0.00  0.00    +0.115 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.809  -1.002  -0.425  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.023  -1.879  -0.566  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        6.011  -3.102  -0.595  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1        8.351  -1.845  -0.820  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        7.138  -1.104  -0.682  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
BRANCH   4  27
ATOM     27  C   LIG    1       -1.083   3.611   1.621  0.00  0.00    +0.165 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.193   4.405   0.336  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1       -0.058   4.998  -0.236  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.157   5.711  -1.432  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.389   5.837  -2.070  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.523   5.249  -1.514  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.426   4.535  -0.318  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 8