REMARK  Name = BDB061194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.668  -0.443   0.127  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1       -2.141   0.304   1.191  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.793   0.673   1.179  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.291   1.501   2.276  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -1.003   1.873   3.294  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1       -2.300   1.472   3.321  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1       -2.852   1.779   4.117  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1        0.038   0.279   0.129  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.457  -0.437  -0.899  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.948   0.734   2.358  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -4.132   0.449   2.486  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -1.769  -0.775  -0.882  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -4.745   1.205  -1.263  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -5.044  -0.145  -0.675  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.061  -0.889   0.001  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.447  -2.132   0.526  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -5.754  -2.584   0.374  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.644  -1.783  -0.315  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -6.317  -0.588  -0.849  0.00  0.00    -0.260 NA
ENDBRANCH   1  15
BRANCH   8  20
ATOM     20  N   LIG    1        1.395   0.632   0.109  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.862   0.303   0.949  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.123   0.240  -1.095  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.567   0.630  -0.943  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.490  -0.162  -0.265  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.311  -1.454   0.440  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.779  -1.831   0.646  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.582  -0.630   0.602  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.807   0.253  -0.103  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.267   1.457  -0.595  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.364   2.263  -1.286  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.034   1.850  -1.453  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.197   2.658  -2.119  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4