REMARK  Name = BDB016491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.083   0.386   3.899  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.915   0.534   2.796  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.570   0.515   1.450  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.490   0.687   0.486  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.773   0.832   0.864  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.206   0.853   2.133  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.258   0.703   3.072  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.756   1.055  -0.199  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.756   0.124  -0.578  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.664   0.491  -1.600  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.582   1.721  -2.252  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.589   2.621  -1.899  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.690   2.290  -0.886  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.950  -1.265   0.027  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.674  -2.093   0.208  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.775  -1.215   1.314  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.781   0.367   1.092  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.175  -0.443   1.561  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.028   0.305  -0.344  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.505   0.069  -0.571  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.972  -1.171  -1.021  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.342  -1.385  -1.213  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.277  -0.369  -0.957  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.803   0.868  -0.500  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        3.433   1.084  -0.307  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.711  -0.610  -1.165  0.00  0.00    +0.092 A 
ATOM     27  N   LIG    1        7.183  -1.826  -1.493  0.00  0.00    -0.174 NA
ATOM     28  N   LIG    1        8.509  -1.666  -1.598  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1        9.071  -2.474  -1.843  0.00  0.00    +0.188 HD
ATOM     30  C   LIG    1        8.925  -0.396  -1.352  0.00  0.00    +0.105 A 
ATOM     31  C   LIG    1        7.787   0.318  -1.068  0.00  0.00    +0.049 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6