REMARK  Name = BDB048336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.884   3.919  -2.917  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.037   3.630  -1.988  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.835   2.666  -1.007  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.489   2.153  -0.673  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.579   0.900   0.122  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.575  -0.004   0.563  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.124  -1.005   1.260  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.447  -0.756   1.266  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.763   0.389   0.607  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.098   0.993   0.388  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.905   2.471  -0.006  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.103   4.231  -2.126  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.738   0.176   0.269  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.983   0.971  -0.305  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.895  -0.529   0.678  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.127  -0.209   0.071  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.329  -0.869   0.400  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.269  -1.871   1.380  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.061  -2.215   1.984  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.885  -1.553   1.627  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.611  -0.528  -0.248  0.00  0.00    +0.071 A 
ATOM     22  N   LIG    1        6.709  -0.579   0.551  0.00  0.00    -0.255 NA
ATOM     23  C   LIG    1        7.905  -0.273   0.003  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        8.078   0.082  -1.322  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.955   0.124  -2.137  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.708  -0.185  -1.597  0.00  0.00    +0.028 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.344  -1.687   1.941  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.847  -2.750   1.011  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -5.025  -3.605   1.409  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.166  -2.606   0.294  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5