REMARK  Name = BDB028403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.399  -3.934   1.635  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.138  -3.233   1.714  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.895  -1.907   1.422  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.469  -1.743   1.623  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.936  -3.007   2.032  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.041  -3.911   2.104  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.197  -0.510   1.418  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.094  -0.401   0.344  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.790   0.796   0.128  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.612   1.857   1.014  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.398   3.088   0.831  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.297   3.081  -0.205  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.845   3.923  -0.351  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.462   2.084  -1.114  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.261   4.050   1.579  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.719   1.753   2.088  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.735   1.006  -0.999  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.007   0.571   2.285  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.915  -0.097  -2.050  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.279   0.499  -3.340  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        4.953   1.248  -3.156  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.757  -0.192  -3.913  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.919  -0.959   0.975  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -1.996  -0.499  -0.355  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1       -2.997   0.438  -0.741  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -3.917   0.901   0.226  0.00  0.00    +0.072 A 
ATOM     27  N   LIG    1       -4.892   1.780  -0.053  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -4.995   2.248  -1.314  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -4.154   1.871  -2.338  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.819   0.434   1.526  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1       -3.147   0.957  -2.048  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -2.838  -0.481   1.910  0.00  0.00    +0.013 A 
BRANCH  24  33
ATOM     33  C   LIG    1       -1.062  -0.988  -1.333  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1       -0.308  -1.376  -2.127  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5