REMARK  Name = BDB035926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.502  -0.465   0.505  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.238  -1.714  -0.236  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        0.962  -2.435   0.304  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        0.766  -3.710  -0.530  0.00  0.00    +0.026 C 
ATOM      5  N   LIG    1       -0.239  -1.546   0.272  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.078  -0.294   1.012  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        1.331   0.440   0.489  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.135   1.558   0.031  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.310   1.917   1.039  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.149   1.224   1.145  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.727   0.187   0.299  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.629  -0.150  -0.717  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.839   0.536  -0.862  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.846   2.179  -0.387  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.541   1.565  -0.392  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.491   0.566  -0.244  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.418   2.323  -0.089  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.457   3.536   0.086  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.428  -2.193   0.863  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.700  -1.404   0.663  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.123  -0.997  -0.603  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.318  -0.281  -0.753  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -4.753   0.167  -2.110  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1       -6.049   0.935  -2.151  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -6.779   1.247  -0.890  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -6.336   0.759   0.292  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -7.069   0.926   1.603  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1       -6.502   1.290  -3.239  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -5.070  -0.004   0.380  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -4.679  -0.392   1.615  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -3.521  -1.079   1.732  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.972   2.113  -1.142  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -8.964   1.444  -1.784  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.533   2.605  -0.003  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -7.674   3.215  -1.880  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5