REMARK  Name = BDB012858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.420   1.453   0.744  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.570   0.549   0.133  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.869   0.780   0.144  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.459  -0.375  -0.676  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.450  -1.496  -0.441  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.881  -0.756  -0.426  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.960   2.405   1.377  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.013   0.838   0.310  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.985   1.678   1.350  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.681   1.948   1.513  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.399   2.607   2.233  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.848   1.268   0.661  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.704   0.561  -0.160  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.571   0.779  -1.654  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.325   0.327  -0.213  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.417  -1.197  -0.106  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.805  -0.749  -0.290  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        2.927  -1.339   0.521  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.880   0.046  -0.666  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1        3.732   1.007  -1.417  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.178  -0.344  -0.076  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1        6.236   0.489  -0.090  0.00  0.00    -0.167 NA
ATOM     23  N   LIG    1        7.220  -0.191   0.517  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.516   0.425   0.665  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1        6.848  -1.433   0.930  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1        5.531  -1.571   0.559  0.00  0.00    +0.054 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4