REMARK  Name = BDB023028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.668   1.504  -0.160  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.053   2.348   0.959  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.393   2.393   0.479  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.603   0.956  -0.026  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.693   0.503  -0.512  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.661   0.807  -1.154  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.128  -0.656  -1.250  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -3.369  -1.114  -0.755  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.705  -2.475  -0.873  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.825  -3.374  -1.473  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -1.603  -2.935  -1.965  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -3.257  -5.034  -1.607  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.359  -0.175  -0.113  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -4.905   0.850  -1.105  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -3.815   1.631  -1.832  0.00  0.00    +0.161 C 
ATOM     16  C   LIG    1       -1.259  -1.587  -1.854  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -2.693   1.785  -0.975  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        4.978  -1.514   1.744  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.533  -0.484   0.904  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        5.113   0.363  -0.080  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.119   1.191  -0.558  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.950   0.878   0.102  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        3.194  -0.132   1.001  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        2.288  -0.672   1.838  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        2.829  -1.653   2.583  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        4.100  -2.099   2.580  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        6.282  -1.988   1.756  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.327  -2.892   2.212  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.772  -1.905   0.876  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        1.042   1.766   2.275  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        1.294   0.819   2.200  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -1.263   2.757   1.545  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.828   2.435   2.363  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5