REMARK  Name = BDB048897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.389  -0.081  -0.335  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        1.206   0.116   1.128  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.135  -0.490   1.593  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -1.310   0.190   1.009  0.00  0.00    -0.291 NA
ATOM      5  C   LIG    1       -1.014   0.703  -0.352  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.114  -0.050  -1.095  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        6.488   0.193  -0.680  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1        5.638  -0.845  -0.270  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        4.258  -0.644  -0.305  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        3.708   0.587  -0.743  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        4.562   1.610  -1.169  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1        4.113   2.786  -1.618  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1        2.785   2.946  -1.654  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1        1.869   2.052  -1.274  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1        2.330   0.876  -0.807  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1        5.935   1.400  -1.125  0.00  0.00    +0.078 A 
BRANCH   7  18
ATOM     17  C   LIG    1        8.726   0.964  -1.018  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.835  -0.067  -0.616  0.00  0.00    -0.491 OA
ENDBRANCH   7  18
BRANCH   8  19
ATOM     19  O   LIG    1        6.246  -2.002   0.145  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        5.412  -3.093   0.507  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  15
BRANCH   4  21
ATOM     21  C   LIG    1       -2.499  -0.687   1.050  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.830   0.071   0.800  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1       -4.991  -0.739   0.728  0.00  0.00    -0.273 N 
ATOM     24  C   LIG    1       -4.907  -2.201   0.767  0.00  0.00    +0.138 C 
ATOM     25  O   LIG    1       -3.837   1.295   0.648  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -6.297  -0.168   0.487  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -6.617   1.143   0.869  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -7.891   1.680   0.647  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -8.878   0.914   0.039  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.591  -0.391  -0.345  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.316  -0.925  -0.120  0.00  0.00    +0.023 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6