REMARK  Name = BDB012773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.838  -0.449   0.485  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -1.388  -0.136   0.087  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.073  -1.089  -0.974  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.187  -1.572  -1.300  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.318  -2.641  -1.892  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.250  -1.864  -1.329  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -3.417  -1.050  -0.797  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.325  -0.778  -0.915  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        1.417   0.582  -1.000  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        0.723   1.228  -1.356  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        2.581   1.085  -0.562  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        3.311  -0.000  -0.269  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        2.574  -1.187  -0.491  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        4.725   0.119   0.225  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        5.634   0.784  -0.811  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        4.799   0.859   1.562  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     17  C   LIG    1       -5.473   1.832   1.962  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -4.750   0.545   1.664  0.00  0.00    +0.210 C 
ATOM     19  N   LIG    1       -3.583   0.707   0.948  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -3.438   1.595   0.485  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -5.181  -0.545   2.022  0.00  0.00    -0.276 OA
ENDBRANCH   1  19
TORSDOF 3