REMARK  Name = BDB046543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.138  -0.394  -1.755  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -1.291   0.145  -1.910  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.526   1.319  -2.196  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1       -2.277  -0.785  -1.572  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.933  -2.169  -1.506  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.634  -2.573  -1.859  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -0.273  -3.923  -1.871  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.199  -4.895  -1.509  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.490  -4.515  -1.153  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.856  -3.165  -1.159  0.00  0.00    +0.027 A 
ATOM     11  O   LIG    1        0.341  -1.702  -2.269  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.154   0.544  -2.419  0.00  0.00    +0.095 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.599   0.155  -2.110  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.813   0.291  -0.699  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.350   0.830   0.999  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.119   0.277  -0.275  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        5.175  -0.295  -0.989  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        6.461  -0.312  -0.446  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        6.696   0.230   0.815  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.646   0.794   1.536  0.00  0.00    +0.008 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.231   1.454   1.804  0.00  0.00    +0.159 C 
BRANCH  21  23
ATOM     22  O   LIG    1        2.217   0.544   3.795  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1        2.402   0.463   2.588  0.00  0.00    +0.309 C 
BRANCH  23  24
ATOM     24  O   LIG    1        1.822  -0.503   1.840  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        2.081  -0.441   0.896  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  C   LIG    1       -3.656  -0.327  -1.435  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.177  -0.222   0.010  0.00  0.00    +0.023 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.576   0.833   0.962  0.00  0.00    -0.009 C 
ATOM     29  C   LIG    1       -2.156   0.516   1.440  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -1.740   1.425   2.602  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -2.370   2.818   2.545  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -2.696   3.239   1.118  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -3.679   2.277   0.441  0.00  0.00    +0.003 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 10