REMARK  Name = BDB027162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.280  -1.499  -0.200  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.284  -2.619   0.038  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -3.297  -2.918  -0.888  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -4.200  -3.955  -0.646  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.096  -4.716   0.516  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.083  -4.447   1.434  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.180  -3.411   1.195  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -1.901   0.005  -2.000  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.954  -0.226  -0.787  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.654   0.689   0.126  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.236   1.962  -0.201  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.798   2.485   0.965  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.450   3.723   1.008  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.532   4.455  -0.180  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.983   3.965  -1.361  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.578   1.569   1.965  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.889   1.682   2.921  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.335   2.725  -1.385  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.889   0.490   1.477  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1       -0.205  -1.997  -1.102  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1       -0.599  -1.973  -2.047  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.996  -1.151  -1.091  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.886  -1.402   0.135  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.145  -0.569   0.088  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        3.147   0.743   0.579  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.309   1.520   0.520  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.488   1.003  -0.034  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.479  -0.308  -0.530  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.318  -1.086  -0.472  0.00  0.00    +0.004 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.695   1.817  -0.093  0.00  0.00    +0.204 A 
ATOM     31  N   LIG    1        7.870   1.414  -0.613  0.00  0.00    -0.133 NA
ATOM     32  N   LIG    1        8.607   2.517  -0.416  0.00  0.00    -0.176 N 
ATOM     33  H   LIG    1        9.581   2.574  -0.698  0.00  0.00    +0.214 HD
ATOM     34  N   LIG    1        7.987   3.542   0.175  0.00  0.00    -0.049 NA
ATOM     35  N   LIG    1        6.754   3.106   0.389  0.00  0.00    -0.108 NA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8