REMARK  Name = LIG000638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.592   0.085   0.075  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.764   0.534   1.037  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1       -0.528   0.465   0.562  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1       -0.589  -0.030  -0.713  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.901  -0.268  -1.049  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -7.449   0.021   2.602  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -6.393   0.095   1.982  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.500  -0.947   1.971  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.785  -1.767   2.492  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.441  -1.128   1.110  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.944  -2.245   0.978  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -4.030   0.074   0.276  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -4.548   1.377   0.892  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -6.048   1.281   1.113  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        0.622  -0.227  -1.505  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.923   0.089  -1.004  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.932  -0.176  -1.915  0.00  0.00    +0.074 A 
ATOM     18  S   LIG    1        2.278  -0.794  -3.381  0.00  0.00    -0.091 S 
ATOM     19  C   LIG    1        0.677  -0.722  -2.788  0.00  0.00    +0.056 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.379  -0.006  -1.808  0.00  0.00    +0.251 C 
ATOM     21  N   LIG    1        4.844   0.291  -0.534  0.00  0.00    -0.308 N 
ATOM     22  H   LIG    1        4.194   0.309   0.238  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        5.155  -0.116  -2.758  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1        6.234   0.456  -0.246  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1        6.715   0.573   1.175  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        7.019  -0.663   0.380  0.00  0.00    +0.024 C 
ENDBRANCH  21  24
ENDBRANCH  17  20
ENDBRANCH   4  15
TORSDOF 4