REMARK  Name = BDB041217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -3.193  -0.236  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -0.675  -1.795  -0.251  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.800  -1.052  -0.269  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1       -2.965  -1.718  -0.266  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -3.110  -3.049  -0.225  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.966  -3.759  -0.217  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.176  -0.924  -0.297  0.00  0.00    +0.148 A 
ATOM      8  N   LIG    1       -4.403   0.200   0.470  0.00  0.00    -0.255 N 
ATOM      9  N   LIG    1       -5.604   0.785   0.228  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -6.164  -0.005  -0.688  0.00  0.00    +0.180 A 
ATOM     11  C   LIG    1       -5.329  -1.078  -1.046  0.00  0.00    +0.168 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -3.537   0.789   1.491  0.00  0.00    +0.102 C 
ATOM     13  C   LIG    1       -4.292   1.083   2.791  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -2.852   2.048   0.960  0.00  0.00    +0.032 C 
ENDBRANCH   8  12
BRANCH  11  15
ATOM     15  O   LIG    1       -5.494  -2.082  -1.939  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -6.759  -2.083  -2.587  0.00  0.00    +0.277 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1        0.433  -5.267  -0.408  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        0.485  -3.860  -0.204  0.00  0.00    -0.490 OA
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  N   LIG    1        0.575  -1.153  -0.332  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.249  -1.646   0.249  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.560   0.281  -0.104  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.981   0.795  -0.070  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.549   1.266   1.118  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.869   1.735   1.140  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.664   1.748  -0.020  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.082   1.255  -1.202  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.764   0.788  -1.230  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.057   2.243  -0.016  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1        6.904   1.634  -0.886  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        8.190   2.050  -0.918  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.692   3.062  -0.122  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.823   3.689   0.759  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.492   3.278   0.814  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8