REMARK  Name = BDB021285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.437  -0.041   3.022  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.538  -0.037   2.200  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.061  -0.178   0.977  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.681  -0.241   0.984  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.078  -0.384  -0.190  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.518  -0.512  -1.343  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.897  -0.462  -1.361  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.706  -0.280  -0.293  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.277  -0.179   2.296  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.172  -0.244  -0.491  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.773   0.508  -1.497  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        6.108   0.578  -1.718  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        6.912  -0.114  -0.898  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1        6.415  -0.880   0.150  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        5.035  -0.944   0.353  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1        8.290  -0.032  -1.115  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        8.737   0.365  -0.295  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        8.669  -0.961  -1.263  0.00  0.00    +0.144 HD
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        1.632   0.161   5.600  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        1.560   0.072   4.444  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -1.453  -0.418  -0.132  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.790  -0.790  -1.018  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.178   0.818   0.147  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.636   0.515   0.315  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.511   0.397  -0.762  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.259   0.492  -2.221  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.702   0.556  -2.720  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.572  -0.026  -1.723  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.847   0.071  -0.563  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.374  -0.154   0.693  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.518  -0.035   1.787  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.170   0.293   1.592  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.374   0.390   2.667  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6