REMARK  Name = BDB062387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.417  -2.080   0.327  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -1.757  -1.953   1.657  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.564  -1.774   2.366  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.630  -1.625   3.768  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.870  -1.652   4.414  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.042  -1.826   3.685  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.511  -1.783   1.418  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.007  -1.981   2.297  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.061  -1.984   0.175  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -2.345  -2.297  -0.772  0.00  0.00    +0.122 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.910  -0.984  -1.310  0.00  0.00    +0.024 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.871  -1.232  -2.470  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.462   0.073  -2.998  0.00  0.00    +0.159 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.862  -0.362  -5.301  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1       -5.433  -0.181  -4.011  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  16
ATOM     16  C   LIG    1        1.974  -1.617   1.701  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.386  -0.247   1.384  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1        2.811   0.009   0.072  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        3.009  -0.900  -0.742  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.999   1.487  -0.331  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.218   2.017   0.213  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        4.400   3.385  -0.169  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        4.415   3.547  -1.696  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        3.194   3.014  -2.326  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        2.395   3.560  -2.005  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        3.019   1.613  -1.873  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        2.021   0.789   2.322  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        3.055   1.677   2.967  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        2.317   0.680   3.800  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 9