REMARK  Name = LIG000354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333   0.536  -0.793  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.921   1.563  -0.160  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.047   2.509   0.208  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1        0.320   2.503   0.004  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.905   3.633   0.541  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.100   4.322   1.041  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.853   1.389  -0.666  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.301   3.683   0.863  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.013   0.413  -1.046  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.594   4.187   1.302  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.239   3.283   2.353  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.539   4.450   0.130  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.201  -0.478  -1.184  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -3.020  -0.372  -0.589  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -1.659  -1.838  -1.149  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.993  -2.965  -1.431  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -2.583  -2.764  -1.970  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -1.450  -2.314   0.306  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.615  -2.091   1.103  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -2.371  -2.299   2.021  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        2.225   1.283  -0.930  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        2.734   1.925  -0.324  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.735  -0.077  -0.990  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.246  -0.040  -1.226  0.00  0.00    +0.026 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.835  -1.424  -1.497  0.00  0.00    +0.076 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.689  -2.354  -0.348  0.00  0.00    +0.105 A 
ATOM     27  O   LIG    1        5.347  -2.017   0.797  0.00  0.00    -0.468 OA
ATOM     28  C   LIG    1        5.082  -2.989   1.706  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        4.262  -3.949   1.160  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.009  -3.540  -0.172  0.00  0.00    +0.044 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11