REMARK  Name = BDB019123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.675   1.292  -0.295  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.267  -0.038  -0.296  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.111   0.004  -0.159  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.923  -1.143  -0.090  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.388  -2.326  -0.210  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.981  -2.391  -0.360  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.480   1.320  -0.149  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.836  -1.343  -0.395  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.556   2.120  -0.201  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.260  -1.684  -0.565  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.110  -1.978   0.512  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.636  -1.898   1.935  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        5.405  -2.356   0.344  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        5.879  -2.416  -0.919  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.120  -2.136  -2.041  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.790  -1.772  -1.859  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  C   LIG    1        3.032   1.842  -0.385  0.00  0.00    +0.360 C 
ATOM     18  O   LIG    1        4.051   1.166  -0.453  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.032   3.210  -0.384  0.00  0.00    -0.460 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.748   3.984  -1.906  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        4.317   3.840  -0.458  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  N   LIG    1       -2.287  -1.039   0.079  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.675  -1.961  -0.124  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.805  -0.632   1.385  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.306  -0.670   1.373  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.076   0.190   0.594  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.667   1.296  -0.305  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.001   1.558  -1.004  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.075   1.069  -0.170  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.465   0.142   0.635  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.150  -0.747   1.437  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.401  -1.627   2.216  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.001  -1.583   2.179  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.317  -2.440   2.950  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7