REMARK  Name = LIG001637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.035  -0.827   0.550  0.00  0.00    -0.198 N 
ATOM      2  C   LIG    1       -3.154  -1.114  -0.476  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -3.453  -1.130  -1.667  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -1.790  -1.430  -0.064  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.535  -1.390   1.296  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1       -0.240  -1.684   1.734  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.769  -2.008   0.821  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.501  -2.050  -0.554  0.00  0.00    -0.029 A 
ATOM      9  N   LIG    1       -2.513  -1.060   2.241  0.00  0.00    -0.131 NA
ATOM     10  C   LIG    1       -0.794  -1.752  -0.995  0.00  0.00    +0.020 A 
ATOM     11  N   LIG    1       -3.667  -0.766   1.866  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.832   1.841   0.798  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.817   1.171   0.629  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.634   1.759   0.256  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.645   2.769   0.195  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.393   1.169   0.148  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -4.399   1.865  -0.046  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -5.381  -0.362   0.221  0.00  0.00    +0.199 C 
ATOM     19  C   LIG    1       -6.446  -0.840   1.208  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -7.810  -0.333   0.764  0.00  0.00    +0.099 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        1.599  -2.361  -1.541  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.347  -1.168  -1.875  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1        1.804  -0.393  -2.220  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1        3.495  -0.843  -1.180  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1        3.999   0.365  -1.613  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        3.593   0.720  -2.466  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        3.974  -1.569  -0.319  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.108   1.070  -1.102  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1        5.798   0.688   0.054  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.888   1.471   0.481  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        7.296   2.613  -0.209  0.00  0.00    +0.078 A 
ATOM     32  N   LIG    1        8.383   3.281   0.331  0.00  0.00    -0.247 NA
ATOM     33  C   LIG    1        8.788   2.652   1.411  0.00  0.00    +0.157 A 
ATOM     34  C   LIG    1        6.590   2.988  -1.366  0.00  0.00    +0.031 A 
ATOM     35  S   LIG    1        7.915   1.248   1.849  0.00  0.00    -0.075 S 
ATOM     36  C   LIG    1        5.504   2.215  -1.799  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4