REMARK  Name = BDB034459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.470   0.866  -0.412  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1       -1.970   1.743  -0.551  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.343  -0.203  -0.754  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -3.730  -0.201  -0.448  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.472  -1.349  -0.807  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -5.832  -1.388  -0.532  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -6.503  -0.330   0.101  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -5.775   0.808   0.452  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -3.925  -2.418  -1.404  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -2.604  -2.390  -1.668  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -4.406   0.871   0.185  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.783  -1.326  -1.361  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -7.986  -0.415   0.355  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -8.399   0.384   1.379  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -8.402  -1.671   0.677  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.720  -0.042  -0.729  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.987   0.799   0.979  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.248  -0.088   1.136  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.453   0.305   0.274  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.950   1.644   0.605  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        1.237   2.320   0.337  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.165   1.981  -0.154  0.00  0.00    +0.123 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.982   0.192  -0.325  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        4.410   1.290   0.346  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        5.021   1.750   1.520  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        4.516   2.809   2.170  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.164   1.147   2.034  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.722   0.061   1.370  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.135  -0.414   0.194  0.00  0.00    +0.046 A 
BRANCH  23  31
ATOM     30  C   LIG    1        4.868  -1.347  -2.150  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.348  -0.209  -1.473  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