REMARK  Name = BDB036416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.131  -0.322  -3.291  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -2.023  -0.247  -2.226  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -2.058   0.700  -1.071  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -3.256   0.292  -0.351  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.818  -0.852  -0.889  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -4.727  -1.527  -0.449  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.067  -1.163  -2.110  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.275  -2.182  -3.019  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.388  -2.273  -4.091  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.328  -1.355  -4.225  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.559   0.839   0.967  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.055  -0.112   2.055  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -1.873  -0.449   2.136  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.986  -0.620   2.923  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.631  -1.256   3.624  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.351  -0.561   2.832  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.054  -1.176   3.631  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.941   0.248   1.706  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.996   1.311   1.177  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.022   0.630  -3.418  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1        2.118   1.176  -2.275  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        1.058   0.316  -2.464  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        0.955  -0.512  -1.895  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        2.218   2.239  -2.879  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.088   0.168   0.678  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1        4.905   1.489   0.250  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.942   1.794  -0.714  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.139   0.785  -1.261  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        3.334  -0.540  -0.853  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.298  -0.842   0.115  0.00  0.00    +0.004 A 
BRANCH  25  31
ATOM     31  C   LIG    1        6.124  -0.162   1.726  0.00  0.00    +0.035 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.554  -0.321   3.729  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.777   0.357   3.125  0.00  0.00    +0.001 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6