REMARK  Name = BDB046534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.819  -0.764  -0.137  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -0.630  -2.150   0.130  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -0.081  -2.546   1.358  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.068  -3.898   1.678  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.309  -4.879   0.766  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.846  -4.505  -0.461  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        0.306  -1.674   2.338  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1        0.542  -0.348   1.881  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1       -1.010  -3.152  -0.776  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.401   0.177   0.795  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -0.674   1.377   0.726  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.596  -0.300  -1.284  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.103  -0.331  -1.010  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.896   0.163  -2.221  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.401   0.259  -1.960  0.00  0.00    +0.008 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.052  -1.090  -1.671  0.00  0.00    +0.074 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -8.221  -0.348  -0.487  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -7.562  -0.978  -1.686  0.00  0.00    +0.130 C 
ATOM     19  O   LIG    1       -8.220  -1.364  -2.651  0.00  0.00    -0.298 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1        2.008  -0.232   1.443  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.440   1.206   1.165  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.851   1.187   0.908  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.417   2.365   0.484  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        5.742   2.266   0.018  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.418   3.430  -0.383  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.783   4.669  -0.339  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.470   4.759   0.111  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.788   3.612   0.526  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1        6.460   0.937  -0.049  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.042   0.488   1.271  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        8.238   0.319   1.462  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.119   0.242   2.230  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        5.211   0.455   1.924  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 13