REMARK  Name = BDB051891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.838   0.491  -2.063  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.116   0.195  -1.114  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.197  -0.310  -0.291  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.613   0.927  -3.186  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.239   0.425   2.043  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.386   0.535   0.939  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        2.823   0.181  -0.360  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        2.207   0.169  -1.650  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.192  -0.200  -2.546  0.00  0.00    +0.108 A 
ATOM     10  N   LIG    1        4.374  -0.472  -1.884  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        5.587  -0.898  -2.476  0.00  0.00    +0.229 C 
ATOM     12  O   LIG    1        6.574  -1.124  -1.787  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1        5.561  -1.049  -3.968  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        4.150  -0.243  -0.521  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        5.012  -0.359   0.587  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.538  -0.027   1.862  0.00  0.00    +0.048 A 
BRANCH   5  18
ATOM     17  C   LIG    1        3.505   0.739   4.385  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        2.672   0.792   3.233  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1       -1.510   0.415  -1.181  0.00  0.00    +0.071 A 
ATOM     20  C   LIG    1       -2.274  -0.065  -0.104  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1       -1.624  -0.707   0.884  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -3.665   0.095  -0.052  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.295   0.753  -1.117  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -3.547   1.245  -2.198  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1       -2.154   1.077  -2.226  0.00  0.00    +0.041 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.461  -0.404   1.057  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -4.040  -0.496   2.368  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.092  -0.996   3.079  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.131  -1.276   4.493  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.184  -1.225   2.328  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.799  -0.865   1.100  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1       -4.192   1.955  -3.330  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -3.623   2.448  -4.285  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.530   2.012  -3.212  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -5.814   2.498  -4.015  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 6