REMARK  Name = BDB014729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.611   4.273  -0.604  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.158   3.878  -0.558  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.847   2.642  -0.005  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.408   2.334   0.104  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.192   0.887   0.368  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.000   0.114   0.417  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.285  -1.161   0.708  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.626  -1.212   0.824  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.211   0.001   0.646  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.648   0.353   0.688  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.775   1.881   0.862  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.297   4.635  -1.010  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.219   0.665   0.193  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.244   1.647  -0.054  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.535   0.116   0.197  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.600   1.010  -0.109  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        4.883   0.436  -0.091  0.00  0.00    +0.094 A 
ATOM     18  C   LIG    1        5.058  -0.956   0.219  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.398  -1.218   0.158  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        6.965  -0.021  -0.175  0.00  0.00    -0.273 N 
ATOM     21  C   LIG    1        8.371   0.240  -0.366  0.00  0.00    +0.172 C 
ATOM     22  C   LIG    1        4.068  -1.875   0.525  0.00  0.00    +0.013 A 
ATOM     23  N   LIG    1        6.084   0.991  -0.330  0.00  0.00    -0.171 NA
ATOM     24  C   LIG    1        2.790  -1.267   0.499  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.266  -2.488   1.117  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.658  -3.216  -0.135  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -3.604  -4.389  -0.060  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.051  -3.106  -0.704  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 4