REMARK  Name = BDB046524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.227  -0.679  -0.877  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        2.707  -1.987  -1.166  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.793  -2.969  -1.578  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        2.221  -4.246  -1.945  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        3.572  -4.573  -1.871  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.491  -3.618  -1.444  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        0.451  -2.727  -1.707  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.001  -1.729  -0.792  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        4.063  -2.331  -1.099  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.853  -0.449  -0.796  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.369   0.672  -0.637  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.134   0.449  -0.686  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.501   0.638   0.788  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.406   1.859   0.979  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.805   2.087   2.442  0.00  0.00    +0.026 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.518   3.014   3.112  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        3.751   2.577   3.400  0.00  0.00    -0.034 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1       -1.467  -1.444  -1.133  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.244  -0.818   0.022  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.603  -0.657  -0.411  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.309   0.145   0.448  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.786   1.376  -0.025  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.544   2.181   0.837  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.821   1.760   2.140  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.356   0.525   2.590  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.605  -0.288   1.742  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.502   1.826  -1.438  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.346   1.122  -2.470  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -6.471   0.667  -2.340  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.749   1.089  -3.682  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -5.399   0.615  -4.241  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 12