REMARK  Name = BDB047917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.794  -1.218   1.373  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.485  -1.136   0.863  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.378  -1.383   1.678  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.577  -1.723   3.016  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.865  -1.806   3.542  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.966  -1.551   2.726  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.012  -0.931   0.504  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -4.076  -1.793  -0.764  0.00  0.00    +0.033 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -3.544   1.184  -0.740  0.00  0.00    +0.404 C 
ATOM     10  N   LIG    1       -4.189   0.513   0.283  0.00  0.00    -0.250 N 
ATOM     11  O   LIG    1       -2.712   0.691  -1.491  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -3.316   3.219  -1.887  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -3.948   2.483  -0.839  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -5.132   1.211   1.163  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.548   1.145   0.613  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -6.998   0.334  -0.180  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.355   2.083   1.154  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -8.222   1.928   0.722  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  O   LIG    1        0.933  -1.330   1.292  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.204  -0.870  -0.036  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.672  -0.838  -0.298  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.611  -1.835  -0.134  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.576  -3.232   0.334  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        4.824  -1.341  -0.523  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        4.561  -0.052  -0.906  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.291   0.292  -0.797  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.694   0.743  -1.373  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.994   0.218  -1.439  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        8.061   1.004  -1.889  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        7.835   2.323  -2.277  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        9.147   3.289  -2.829  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        6.553   2.862  -2.220  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        5.488   2.075  -1.770  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10