REMARK  Name = BDB034501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.175  -2.910   0.303  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.123  -1.905   0.158  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -0.149  -1.901   1.164  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.153  -2.658   2.130  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.978  -0.952   1.062  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.865  -1.035  -0.017  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        2.924  -0.127  -0.070  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.122   0.848   0.926  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1        4.180   1.784   0.891  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1        5.030   1.770  -0.099  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1        4.881   0.798  -1.143  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1        5.569   0.530  -2.304  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1        5.009  -0.535  -2.966  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1        3.987  -0.905  -2.222  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1        2.235   0.887   2.004  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1        3.862  -0.118  -1.111  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1        1.170  -0.015   2.082  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1        6.037   2.691  -0.074  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        6.130   3.116   0.843  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        6.923   2.386  -0.458  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -1.398  -0.721  -0.681  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1       -2.578   0.055  -0.226  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -3.621  -0.102  -1.115  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -4.850   0.479  -0.904  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -4.988   1.254   0.248  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1       -3.955   1.435   1.137  0.00  0.00    -0.250 NA
ATOM     27  O   LIG    1       -3.320  -0.902  -2.186  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1       -2.773   0.825   0.890  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -1.877  -1.037  -2.117  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.328   1.933   0.507  0.00  0.00    +0.434 C 
ATOM     31  F   LIG    1       -6.438   2.515   1.734  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1       -6.593   2.920  -0.399  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1       -7.379   1.065   0.415  0.00  0.00    -0.164 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4