REMARK  Name = BDB041290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.812   0.078  -0.165  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1       -0.283  -1.145   0.307  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.092  -1.402   0.164  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.555  -2.640   0.614  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1        0.773  -3.573   1.202  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1       -0.543  -3.321   1.358  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.915  -0.418  -0.429  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        1.410   0.746  -0.887  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -1.047  -2.148   0.914  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.084   0.966  -0.750  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -2.746  -0.548  -2.353  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.162   0.146  -1.084  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -4.505   0.514  -0.911  0.00  0.00    +0.131 A 
ATOM     14  F   LIG    1       -5.383   0.255  -1.893  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -4.955   1.160   0.246  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.028   1.450   1.253  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.687   1.094   1.100  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -2.235   0.438  -0.060  0.00  0.00    -0.010 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -6.413   1.522   0.403  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -7.260   0.385   0.804  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1       -7.024  -0.021   2.189  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1       -8.672   0.724   0.618  0.00  0.00    +0.104 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  18
BRANCH   7  23
ATOM     23  N   LIG    1        3.297  -0.650  -0.554  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1        3.694  -0.831   0.362  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.033   0.394  -1.260  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.498   0.056  -1.249  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.323   0.336  -0.161  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.005   0.950   1.151  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        7.425   1.201   1.658  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.331   0.299   0.984  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        7.663  -0.032  -0.166  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.245  -0.688  -1.231  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.441  -0.971  -2.336  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.089  -0.602  -2.337  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.352  -0.896  -3.418  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 6