REMARK  Name = BDB015891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.028   2.280   0.422  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.316   1.154   0.219  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.025   1.254   0.111  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.679   2.482   0.227  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.853   3.573   0.430  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.489   3.506   0.521  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.518   0.749   0.675  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.124   0.890   0.568  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.496   2.154   0.535  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.326   3.286   0.618  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.713   3.166   0.726  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.305   1.903   0.754  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.420  -4.096   0.034  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.524  -2.709   0.415  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.605  -2.290   1.096  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.370  -0.987   1.279  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.143  -0.564   0.715  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.624  -1.715   0.157  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.120   2.642   0.161  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.775   3.680  -0.472  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.111   3.446  -0.306  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.203   4.255  -0.789  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.375   2.324   0.386  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.164   1.842   0.679  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.771   0.072  -0.101  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.412   0.238  -0.874  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.981  -1.147  -0.274  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.837  -2.429  -0.394  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.976  -2.393  -1.463  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -3.942  -2.975  -0.416  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -2.948  -2.583   0.691  0.00  0.00    +0.011 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -0.886  -3.636  -0.510  0.00  0.00    +0.164 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -1.583  -4.876  -0.564  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -2.020  -4.938  -1.430  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8