REMARK  Name = BDB016487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.375  -2.598  -2.753  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.523  -1.508  -2.265  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.145  -0.585  -1.297  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.990   0.363  -0.860  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.222   0.400  -1.400  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.667  -0.421  -2.362  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.803  -1.365  -2.767  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.112   1.471  -0.949  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.241   1.277  -0.114  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.034   2.401   0.217  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.719   3.683  -0.234  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.603   3.876  -1.032  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.812   2.783  -1.383  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.694  -0.062   0.466  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.590  -0.918   1.092  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.525  -0.864  -0.537  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.138  -0.679  -0.727  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.837  -0.707  -1.462  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.444   0.362   0.247  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.856   0.150   0.750  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.895   0.999   0.353  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        5.198   0.783   0.812  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.497  -0.283   1.674  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.454  -1.136   2.062  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.149  -0.922   1.603  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.874  -0.469   2.127  0.00  0.00    +0.179 A 
ATOM     27  N   LIG    1        7.300  -1.391   3.045  0.00  0.00    -0.239 N 
ATOM     28  H   LIG    1        6.775  -2.082   3.563  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1        8.621  -1.294   3.235  0.00  0.00    -0.046 NA
ATOM     30  N   LIG    1        9.009  -0.310   2.439  0.00  0.00    -0.023 NA
ATOM     31  N   LIG    1        7.942   0.212   1.750  0.00  0.00    -0.108 NA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6