REMARK  Name = BDB050158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.972  -0.621   1.090  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -0.788  -0.190   0.789  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1       -0.070   0.286   1.851  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.478   0.324   3.173  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.445   0.832   3.958  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.488   1.134   3.122  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.756  -0.191   3.470  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.211   0.810   1.803  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.520  -0.672   2.481  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.039   0.942   0.604  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.411   0.647   0.662  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        4.236   0.772  -0.467  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.673   1.204  -1.667  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.312   1.507  -1.739  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.501   1.379  -0.611  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  N   LIG    1        5.600   0.446  -0.307  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        5.876   0.144   0.618  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        6.593   0.481  -1.270  0.00  0.00    +0.214 C 
ATOM     19  O   LIG    1        6.469   0.783  -2.451  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1        7.933   0.057  -0.720  0.00  0.00    +0.109 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  N   LIG    1       -2.814  -1.092   0.078  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1       -2.312  -1.602  -1.131  0.00  0.00    +0.218 C 
ATOM     23  O   LIG    1       -2.955  -1.602  -2.184  0.00  0.00    -0.276 OA
ATOM     24  C   LIG    1       -0.932  -2.220  -1.114  0.00  0.00    +0.110 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.245  -0.681   0.078  0.00  0.00    +0.108 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.744   1.805  -0.345  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -4.532   0.577  -0.781  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -5.186  -1.839  -0.320  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -6.486  -1.614   0.226  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1       -7.070  -2.299  -0.146  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7