REMARK  Name = BDB043984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809  -1.996  -0.365  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1        0.548  -1.818  -0.935  0.00  0.00    +0.283 C 
ATOM      3  O   LIG    1        1.307  -2.708  -1.271  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        0.788  -0.453  -0.989  0.00  0.00    -0.284 N 
ATOM      5  C   LIG    1       -0.255   0.303  -0.323  0.00  0.00    +0.144 C 
ATOM      6  C   LIG    1       -1.224  -0.782   0.013  0.00  0.00    +0.071 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.826   1.410  -1.185  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -1.241   1.175  -2.507  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -1.783   2.207  -3.279  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.917   3.480  -2.733  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -2.651   4.876  -3.775  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -1.516   3.733  -1.424  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.974   2.702  -0.653  0.00  0.00    +0.007 A 
ENDBRANCH   5   7
BRANCH   6  14
ATOM     14  C   LIG    1       -2.526  -0.526   0.648  0.00  0.00    +0.195 C 
ATOM     15  O   LIG    1       -3.563  -0.996   0.196  0.00  0.00    -0.287 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.562   0.396   1.806  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -3.613   1.315   1.894  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.665   2.212   2.961  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.676   2.183   3.945  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.639   1.252   3.871  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -1.581   0.353   2.805  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH   1  22
ATOM     22  O   LIG    1       -1.386  -3.207  -0.119  0.00  0.00    -0.484 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -3.382  -4.418  -0.587  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -2.220  -3.643  -1.202  0.00  0.00    +0.168 C 
ATOM     25  C   LIG    1       -1.425  -4.546  -2.141  0.00  0.00    +0.051 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  26
ATOM     26  C   LIG    1        2.092   0.101  -1.310  0.00  0.00    +0.111 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.997   0.192  -0.085  0.00  0.00    +0.040 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.399   0.650  -0.474  0.00  0.00    +0.124 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.249   0.824   0.686  0.00  0.00    -0.337 N 
ATOM     30  C   LIG    1        5.454   1.993   1.359  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1        6.269   1.823   2.376  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1        6.610   0.494   2.346  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1        5.987  -0.147   1.300  0.00  0.00    +0.106 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 9