REMARK  Name = BDB048730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826   0.104   1.109  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -0.268   0.660   0.431  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.103   1.318  -0.786  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.164   1.400  -1.363  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        2.278   0.842  -0.716  0.00  0.00    -0.022 A 
ATOM      6  C   LIG    1        2.092   0.186   0.520  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.645   0.939  -1.366  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        3.977  -0.197  -2.323  0.00  0.00    +0.164 C 
ATOM      9  C   LIG    1        5.424  -0.043  -2.713  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        5.866  -0.682  -4.007  0.00  0.00    +0.059 C 
ATOM     11  N   LIG    1        6.314   0.578  -2.007  0.00  0.00    -0.172 NA
ATOM     12  C   LIG    1        6.003   1.127  -0.794  0.00  0.00    +0.324 C 
ATOM     13  O   LIG    1        6.840   1.624  -0.051  0.00  0.00    -0.251 OA
ATOM     14  N   LIG    1        4.695   1.133  -0.403  0.00  0.00    -0.290 N 
ATOM     15  H   LIG    1        4.540   1.724   0.404  0.00  0.00    +0.151 HD
BRANCH   8  16
ATOM     16  C   LIG    1        3.659  -1.569  -1.799  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        2.716  -2.256  -2.156  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.522  -2.035  -0.882  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        4.198  -2.934  -0.662  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   8  16
ENDBRANCH   5   7
BRANCH   1  21
ATOM     20  C   LIG    1        1.664  -0.798   3.146  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        0.555  -0.499   2.309  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1       -1.521   0.660   0.985  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.181  -0.599   0.777  0.00  0.00    +0.251 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.110  -0.862   1.957  0.00  0.00    +0.164 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.279   0.001   1.953  0.00  0.00    -0.329 N 
ATOM     26  C   LIG    1       -5.401  -0.207   1.189  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -6.314   0.798   1.501  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.550   0.780   0.836  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -7.774  -0.243  -0.085  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.775  -1.181  -0.306  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -5.701   1.632   2.474  0.00  0.00    +0.029 A 
ATOM     32  N   LIG    1       -5.567  -1.211   0.302  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -4.448   1.117   2.736  0.00  0.00    +0.088 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 8