REMARK  Name = BDB061630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.261  -2.457   0.721  0.00  0.00    -0.208 N 
ATOM      2  C   LIG    1       -1.797  -1.850  -0.422  0.00  0.00    +0.351 A 
ATOM      3  O   LIG    1       -1.425  -2.061  -1.567  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1       -2.783  -0.997   0.049  0.00  0.00    -0.250 N 
ATOM      5  C   LIG    1       -2.739  -1.137   1.394  0.00  0.00    +0.230 A 
ATOM      6  N   LIG    1       -1.862  -1.974   1.855  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.635  -0.150  -0.702  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -3.573  -0.098  -2.102  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.417   0.741  -2.849  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -5.347   1.553  -2.210  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -5.422   1.512  -0.819  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.580   0.674  -0.074  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -6.226   2.412  -2.802  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -6.205   2.509  -4.216  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1       -5.004   2.939  -4.657  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -6.499   1.323  -4.790  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       -7.140   3.405  -4.602  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.126  -3.347   0.747  0.00  0.00    +0.184 C 
BRANCH  18  23
ATOM     19  C   LIG    1        3.554  -1.119   1.122  0.00  0.00    +0.157 A 
ATOM     20  C   LIG    1        2.861  -1.534   2.257  0.00  0.00    +0.165 A 
ATOM     21  F   LIG    1        3.330  -1.256   3.481  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        1.671  -2.249   2.143  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        1.175  -2.593   0.878  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        1.892  -2.200  -0.263  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.086  -1.483  -0.140  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     26  O   LIG    1        4.750  -0.468   1.212  0.00  0.00    -0.472 OA
BRANCH  26  28
ATOM     27  C   LIG    1        4.272   1.410   2.736  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        4.709   0.974   1.333  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        3.861   1.650   0.245  0.00  0.00    +0.067 C 
BRANCH  28  30
ATOM     30  C   LIG    1        6.170   1.416   1.123  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        7.129   0.717   0.835  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.361   2.748   1.270  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        7.323   2.855   1.108  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 9