REMARK  Name = BDB036216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.973  -2.017   0.334  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.123  -1.618   1.471  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.853  -2.755   1.861  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.702  -3.255   0.771  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.157  -2.955  -0.561  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.390  -2.986  -0.613  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.603  -0.108  -0.436  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        3.733   0.514   0.396  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.564  -0.133   0.622  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        1.710   0.521   1.428  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        2.177  -1.376   0.071  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.132  -1.957  -0.777  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.351  -1.329  -1.039  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     14  N   LIG    1        6.035   1.793  -0.014  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        5.233   2.095   0.533  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        5.898   0.600  -0.692  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        6.741   0.136  -1.450  0.00  0.00    -0.269 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.991   3.576  -1.397  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        7.167   2.671  -0.191  0.00  0.00    +0.101 C 
ENDBRANCH  14  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -3.138  -3.005   0.911  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.592  -1.565   0.841  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.998  -1.004  -0.375  0.00  0.00    +0.153 A 
ATOM     23  F   LIG    1       -3.987  -1.752  -1.491  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -4.415   0.325  -0.456  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1       -4.445   1.131   0.688  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1       -4.858   2.475   0.653  0.00  0.00    -0.245 NA
ATOM     27  C   LIG    1       -5.222   2.973  -0.494  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1       -5.223   2.170  -1.794  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -5.575   2.683  -2.845  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -5.670   4.402  -0.590  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -4.056   0.577   1.907  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1       -4.810   0.868  -1.685  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1       -4.795   0.298  -2.521  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.636  -0.757   1.988  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5