REMARK  Name = LIG001215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.992   0.032   0.244  0.00  0.00    -0.283 NA
ATOM      2  C   LIG    1       -3.586  -0.396   0.488  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.826   0.874   0.709  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -3.615   1.953   0.314  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -3.142   3.250   0.384  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.847   3.448   0.865  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.049   2.358   1.260  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.537   1.051   1.190  0.00  0.00    +0.126 A 
ATOM      9  C   LIG    1       -4.923   1.446  -0.196  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  16
ATOM     10  O   LIG    1       -8.872  -3.492  -1.371  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -8.020  -2.658  -1.080  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -6.994  -2.957  -0.226  0.00  0.00    -0.255 N 
ATOM     13  H   LIG    1       -6.975  -3.916   0.094  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -5.786  -2.306  -0.156  0.00  0.00    +0.236 C 
ATOM     15  O   LIG    1       -4.799  -2.932   0.233  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1       -5.736  -0.848  -0.683  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1       -7.173  -0.328  -0.865  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -7.980  -1.294  -1.716  0.00  0.00    +0.098 C 
ENDBRANCH   1  16
BRANCH   8  19
ATOM     19  O   LIG    1       -0.857  -0.085   1.516  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.314   0.041   2.327  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.578   0.250   1.523  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        2.649   0.963   2.080  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.834   1.140   1.362  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.980   0.598   0.078  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        2.915  -0.127  -0.473  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.730  -0.304   0.245  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.263   0.799  -0.701  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.449   0.251  -0.024  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1        6.361  -1.222   0.117  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1        7.747  -1.868   0.251  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1        8.556  -1.685  -0.920  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        8.257  -0.474  -1.625  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        7.697   0.632  -0.717  0.00  0.00    +0.113 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 6