REMARK  Name = BDB034621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.170  -0.545  -1.065  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        0.038  -0.075  -0.499  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        1.275  -0.674  -0.761  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.323  -1.778  -1.614  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.156  -2.271  -2.192  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.069  -1.661  -1.918  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.584   0.161  -0.744  0.00  0.00    +0.134 C 
ATOM      8  O   LIG    1       -3.594  -0.088  -1.784  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -3.748   1.328  -2.028  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1       -2.643   1.685  -1.047  0.00  0.00    +0.071 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.086  -0.293   0.651  0.00  0.00    +0.269 C 
ATOM     12  F   LIG    1       -3.067  -1.663   0.699  0.00  0.00    -0.234 F 
BRANCH  11  15
ATOM     13  C   LIG    1       -5.789  -1.797   0.255  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -5.618  -0.478   0.803  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -4.447   0.207   1.002  0.00  0.00    +0.170 A 
ATOM     16  N   LIG    1       -4.736   1.378   1.539  0.00  0.00    -0.132 NA
ATOM     17  N   LIG    1       -6.100   1.464   1.677  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -6.615   0.341   1.234  0.00  0.00    +0.224 A 
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.490  -0.231  -0.212  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.334  -0.740  -0.468  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.707   0.826   0.652  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        1.870   1.592   1.112  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.154   0.987   1.023  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        5.019   0.092   0.464  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        6.341   0.214   0.782  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        6.802   1.213   1.646  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        5.893   2.112   2.201  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.544   2.001   1.886  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.352  -0.759   0.186  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1        8.308  -0.128  -0.555  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        6.799  -1.694  -0.637  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        8.030  -1.458   1.142  0.00  0.00    -0.164 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6