REMARK  Name = LIG001127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.494  -0.481  -1.236  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.290  -0.950  -1.709  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.010  -1.038  -0.997  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        0.936  -1.765  -1.973  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.002  -2.445  -2.960  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.166  -1.462  -3.060  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.452  -0.311  -2.000  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.583   0.353  -0.680  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.745   0.302   0.063  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.060  -0.581   0.441  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.084   1.403  -1.076  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.436   1.506   0.497  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        1.986   1.916   1.898  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        3.935   1.283   0.379  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        4.620   1.828  -0.722  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        5.992   1.619  -0.889  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        6.700   0.853   0.038  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        6.030   0.300   1.134  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.658   0.512   1.302  0.00  0.00    +0.007 A 
BRANCH  17  20
ATOM     20  C   LIG    1        8.106   0.628  -0.135  0.00  0.00    +0.099 C 
ATOM     21  N   LIG    1        9.243   0.443  -0.278  0.00  0.00    -0.191 NA
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1       -0.415  -3.688  -2.392  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -1.160  -4.024  -2.921  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.634  -0.153   0.272  0.00  0.00    +0.164 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -3.069   3.567   0.881  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -2.572   2.171   1.134  0.00  0.00    +0.211 C 
ATOM     27  N   LIG    1       -3.138   1.219   0.321  0.00  0.00    -0.304 N 
ATOM     28  H   LIG    1       -3.708   1.510  -0.470  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1       -1.762   1.914   2.021  0.00  0.00    -0.276 OA
ENDBRANCH  24  27
BRANCH  24  30
ATOM     30  C   LIG    1       -3.550  -1.165   1.036  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -3.567  -0.822   2.542  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -5.006  -1.153   0.532  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -2.991  -2.598   0.893  0.00  0.00    +0.013 C 
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 8