REMARK  Name = LIG000319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.532  -0.687   0.015  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        0.489   0.033  -0.596  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.820  -0.332  -0.329  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.094   0.232  -0.858  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.111  -0.501  -0.104  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.545  -1.556   0.606  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.105  -2.460   1.193  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.089  -1.401   0.519  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.094  -2.147   1.120  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.230  -1.782   0.858  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.972  -0.303   0.622  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        5.063   0.097  -0.138  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1        4.583   0.374  -1.417  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        5.522   0.834  -2.384  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        6.818   0.975  -2.046  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        7.291   0.666  -0.706  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1        3.291   0.150  -1.512  0.00  0.00    -0.226 NA
ATOM     18  C   LIG    1        6.410   0.237   0.213  0.00  0.00    +0.094 A 
ATOM     19  C   LIG    1        2.907  -0.309  -0.270  0.00  0.00    +0.111 A 
BRANCH  11  20
ATOM     20  N   LIG    1        4.061  -0.584   1.952  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1        4.836  -0.213   2.497  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.199  -0.581   2.495  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   1  19
BRANCH   5  23
ATOM     23  C   LIG    1       -4.537  -0.459  -0.454  0.00  0.00    +0.163 C 
ATOM     24  C   LIG    1       -4.895   0.789  -1.277  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1       -4.598   0.911  -2.465  0.00  0.00    -0.273 OA
ATOM     26  N   LIG    1       -5.432   1.852  -0.589  0.00  0.00    -0.255 N 
ATOM     27  H   LIG    1       -5.575   2.696  -1.125  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1       -5.572   1.982   0.769  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1       -5.839   3.070   1.272  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -5.318   0.748   1.600  0.00  0.00    +0.098 C 
ATOM     31  C   LIG    1       -5.468  -0.513   0.764  0.00  0.00    +0.041 C 
ENDBRANCH   5  23
TORSDOF 3