REMARK  Name = BDB049351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.185  -0.037  -0.063  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.424   1.141  -0.013  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.054   1.052   0.273  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.122   2.051   0.368  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.023   1.460   0.650  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1        0.149   0.094   0.748  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.474  -0.191   0.500  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.207  -1.382   0.450  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.575  -1.278   0.164  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.907  -1.469  -2.482  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.367  -0.589  -1.383  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.601   0.025  -0.358  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.530   0.731   0.376  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.476   1.587   1.577  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.761   0.553  -0.175  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.665  -0.278  -1.274  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.873  -0.895   1.049  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.583  -1.383  -0.222  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.755  -2.236   0.053  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.372  -3.546   0.629  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -3.592  -4.464   0.812  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -4.272  -4.675  -0.431  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -4.703  -3.420  -0.971  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -3.509  -2.480  -1.200  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -1.322   2.183   0.814  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.836   2.694  -0.535  0.00  0.00    +0.043 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.189   3.344  -0.402  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -4.359   2.586  -0.498  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.580   3.227  -0.347  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1       -5.710   4.549  -0.107  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1       -4.567   5.262  -0.014  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -3.301   4.713  -0.150  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7