REMARK  Name = BDB046530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.804  -0.665   0.564  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -2.542  -1.472  -0.507  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -2.789  -2.667  -0.344  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1       -2.804  -0.790  -1.686  0.00  0.00    -0.254 N 
ATOM      5  C   LIG    1       -2.667   0.626  -1.733  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.303   1.322  -0.572  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -2.204   2.717  -0.570  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.448   3.438  -1.734  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.804   2.763  -2.897  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.918   1.368  -2.897  0.00  0.00    +0.027 A 
ATOM     11  O   LIG    1       -2.062   0.727   0.636  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.296  -0.907   0.421  0.00  0.00    +0.095 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.496  -0.287   1.568  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  O   LIG    1        1.878  -0.605   1.360  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.124  -0.025   1.752  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.783   0.030   2.176  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        2.461   0.658   3.382  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.463   1.234   4.166  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.792   1.177   3.755  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.122   0.548   2.557  0.00  0.00    +0.008 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.516  -0.696   0.456  0.00  0.00    +0.159 C 
BRANCH  21  23
ATOM     22  O   LIG    1        5.686  -2.805   0.353  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1        4.644  -2.198   0.559  0.00  0.00    +0.309 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.488  -2.835   0.857  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        2.752  -2.204   1.017  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       -3.409  -1.543  -2.785  0.00  0.00    +0.234 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.931  -1.514  -2.812  0.00  0.00    +0.323 C 
ATOM     28  O   LIG    1       -5.623  -2.004  -3.693  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.516  -0.907  -1.762  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -6.477  -1.016  -1.920  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 10