REMARK  Name = BDB034460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.843   0.520  -0.933  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1        1.898   1.083  -0.087  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.704  -0.595  -0.829  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        4.006  -0.438  -0.269  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        4.841  -1.577  -0.202  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        6.106  -1.462   0.358  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        6.605  -0.245   0.846  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        5.792   0.886   0.772  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1        4.476  -2.780  -0.663  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        3.264  -2.888  -1.238  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        4.514   0.792   0.218  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.367  -1.843  -1.354  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1        7.979  -0.180   1.461  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.520   1.071   1.432  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.978  -0.553   2.770  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.882  -0.987   0.840  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.459   0.342  -1.377  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.249   1.698  -1.370  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.662   1.627  -1.955  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.544   0.671  -1.286  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -3.399   0.576  -1.839  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.951   1.121   0.049  0.00  0.00    +0.120 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.322   0.338   0.596  0.00  0.00    +0.125 A 
ATOM     24  C   LIG    1       -3.927   0.141   0.660  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -3.424  -1.019   1.277  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.294  -1.946   1.835  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1       -3.803  -3.044   2.423  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.666  -1.750   1.789  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -6.182  -0.610   1.168  0.00  0.00    +0.049 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -7.138   1.711  -0.125  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.738   1.475  -0.047  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9