REMARK  Name = BDB060065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.065   1.621  -0.706  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.113   0.840  -0.035  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.777   1.255  -0.125  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.393   2.396  -0.824  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.963   2.578  -0.762  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.434   1.566  -0.056  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.367   3.180  -1.463  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.404   0.752   0.371  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.537  -0.437   1.179  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.707   2.783  -1.391  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.410   1.319  -0.661  0.00  0.00    -0.454 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.268  -1.810  -0.559  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -5.832  -0.523  -0.255  0.00  0.00    +0.095 A 
ATOM     14  C   LIG    1       -4.783   0.037  -0.985  0.00  0.00    +0.150 A 
ATOM     15  C   LIG    1       -4.228  -0.700  -2.025  0.00  0.00    +0.157 A 
ATOM     16  N   LIG    1       -4.621  -1.954  -2.345  0.00  0.00    -0.256 NA
ATOM     17  C   LIG    1       -5.629  -2.474  -1.603  0.00  0.00    +0.156 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.959  -1.818   1.108  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -7.268  -2.497   0.066  0.00  0.00    -0.493 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.876   1.339   0.271  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.204   0.013  -0.144  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.484  -0.413   0.079  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.506   0.330   0.672  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.778  -0.240   0.843  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.022  -1.551   0.419  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.003  -2.292  -0.175  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.740  -1.722  -0.343  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.895   0.510   1.469  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        9.024   0.093   1.645  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.542   1.751   1.850  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.366   2.121   2.232  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 8