REMARK  Name = BDB026737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190   2.674  -0.341  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1        1.252   1.829   0.411  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        2.391   2.254   0.602  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.851   0.522   0.788  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.573   0.404   1.168  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -1.548   1.129   0.183  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -1.173   2.518   0.072  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.078  -0.987   1.538  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.777  -1.163   2.747  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.276  -2.416   3.114  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.087  -3.509   2.275  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.702  -5.051   2.724  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.403  -3.357   1.073  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.904  -2.104   0.708  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.824   0.572  -1.207  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -0.841  -0.031  -2.007  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -1.152  -0.507  -3.283  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        0.072  -1.263  -4.227  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.439  -0.376  -3.795  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.422   0.239  -3.025  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.116   0.712  -1.746  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.509   4.164  -0.228  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1        0.368   5.735  -2.049  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -0.194   4.944  -1.307  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -1.530   4.736  -1.353  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -1.822   4.043  -0.719  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.849  -0.230   1.565  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.925  -0.737   0.610  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        2.618  -1.992  -0.253  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.086  -2.410  -0.032  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        4.038  -1.594   1.276  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7