REMARK  Name = BDB028475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.394   1.023  -2.263  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.861   0.029  -1.712  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.156  -0.423  -1.924  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.071   0.470  -2.646  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -4.210   1.023  -1.763  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -5.019  -0.037  -1.126  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -5.226  -1.263  -1.899  0.00  0.00    +0.106 C 
ATOM      8  C   LIG    1       -4.005  -2.186  -1.844  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.727  -1.594  -1.243  0.00  0.00    +0.111 C 
ATOM     10  N   LIG    1       -0.114  -0.724  -0.844  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1       -0.621  -1.147  -0.079  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.865   0.264  -0.063  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.237   1.580   0.254  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -7.079   1.874   1.335  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.565   0.851   2.139  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.204  -0.462   1.863  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.364  -0.745   0.779  0.00  0.00    +0.023 A 
ENDBRANCH   6  12
BRANCH  10  18
ATOM     18  C   LIG    1        1.241  -0.316  -0.506  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.874  -1.290   0.491  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.978  -1.424   1.618  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.923  -0.553   2.049  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.268  -0.872   1.016  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.345  -0.852   0.009  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.650  -1.176   0.622  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.293   0.006   1.306  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.343   1.210   0.584  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.974   2.329   1.126  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.539   2.251   2.399  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.483   1.057   3.123  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.720   1.196  -0.786  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.866  -0.069   2.576  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.384   0.423  -0.755  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 6