REMARK  Name = BDB008649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.090   1.575  -1.222  0.00  0.00    +0.105 C 
ATOM      2  C   LIG    1       -1.851   2.711  -1.920  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.510  -0.494  -1.635  0.00  0.00    -0.345 N 
ATOM      4  C   LIG    1        2.315   0.086  -2.001  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        2.308   0.152  -3.391  0.00  0.00    +0.089 A 
ATOM      6  N   LIG    1        1.276   0.657  -4.106  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        0.231   1.091  -3.365  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1        0.141   1.082  -1.971  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1        3.528  -0.390  -3.857  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        1.225   0.553  -1.257  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        4.254  -0.783  -2.753  0.00  0.00    +0.088 A 
BRANCH   3  12
ATOM     12  C   LIG    1        3.940  -0.754  -0.269  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.305  -2.020   0.302  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.795  -2.308   1.714  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.846  -1.438   3.903  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        3.508  -1.186   2.545  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -1.977   0.451  -0.824  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -1.882  -0.180   0.431  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.156  -1.379   0.570  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -1.450   0.664   1.662  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -1.236  -0.135   2.838  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -2.356  -0.197   3.728  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -3.710   0.119   3.079  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -3.751   1.444   2.440  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.075   2.140   3.111  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.415   1.834   1.952  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.564  -0.332  -1.905  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -3.942  -0.938  -1.768  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.716   0.176  -2.736  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8