REMARK  Name = BDB006698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.623   0.518  -1.971  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.404   0.213  -1.484  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.296  -0.901  -0.962  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -1.599  -0.399  -0.665  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -1.708   1.067  -0.999  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.168  -2.019  -0.831  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.357   1.339  -1.526  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.461   2.321  -2.091  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.151   3.741  -2.376  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        1.675   1.812  -2.385  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.683  -1.138  -0.182  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.916  -0.609  -0.040  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.997  -1.331   0.439  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -6.289  -0.668   0.539  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.906  -2.677   0.784  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.853  -3.355   1.175  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.547  -3.283   0.654  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -3.410  -4.717   1.055  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.528  -2.533   0.200  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.885   1.996   0.186  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -2.635   3.177   0.026  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.816   4.060   1.094  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.250   3.774   2.334  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.476   4.861   3.647  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.501   2.615   2.514  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.318   1.731   1.447  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        5.724  -0.847  -0.652  0.00  0.00    +0.403 C 
ATOM     28  N   LIG    1        4.547  -0.817  -1.343  0.00  0.00    -0.263 N 
ATOM     29  C   LIG    1        4.106   0.209  -2.278  0.00  0.00    +0.139 C 
ATOM     30  C   LIG    1        2.715  -0.443  -2.170  0.00  0.00    +0.143 C 
ATOM     31  C   LIG    1        3.202  -1.091  -0.862  0.00  0.00    +0.139 C 
ATOM     32  O   LIG    1        6.728  -0.228  -0.982  0.00  0.00    -0.226 OA
BRANCH  27  33
ATOM     33  O   LIG    1        5.632  -1.651   0.441  0.00  0.00    -0.451 OA
BRANCH  33  35
ATOM     34  C   LIG    1        6.866  -0.649   2.265  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        6.819  -1.764   1.237  0.00  0.00    +0.230 C 
ENDBRANCH  33  35
ENDBRANCH  27  33
ENDBRANCH   1  30
TORSDOF 5