REMARK  Name = BDB046526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.840   0.184  -1.193  0.00  0.00    -0.256 N 
ATOM      2  C   LIG    1        2.080  -1.001  -0.440  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.331  -1.240   0.721  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.584  -2.358   1.521  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.575  -3.266   1.161  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.320  -3.049   0.007  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        0.351  -0.406   1.183  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.170   0.482   0.205  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        3.078  -1.923  -0.787  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.816   1.044  -0.823  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.654   2.157  -1.323  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.717   0.567  -2.303  0.00  0.00    +0.209 C 
BRANCH  12  15
ATOM     13  N   LIG    1        4.152   1.700  -0.656  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1        3.317   1.704  -0.084  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        4.104   1.055  -1.871  0.00  0.00    +0.231 C 
ATOM     16  O   LIG    1        5.079   0.951  -2.614  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.392   2.169  -0.075  0.00  0.00    +0.104 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.413   0.539   1.871  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        6.153   1.057   0.646  0.00  0.00    +0.015 C 
ENDBRANCH  17  19
ENDBRANCH  13  17
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -1.343  -0.169  -0.533  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.464  -0.572   0.419  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.580  -0.984  -0.385  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.766  -0.822   0.283  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.719   0.055  -0.255  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.941   0.212   0.417  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.207  -0.506   1.585  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.259  -1.393   2.093  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.039  -1.557   1.439  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.441   0.829  -1.522  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.404   1.915  -1.364  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -3.898   2.339  -0.339  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.054   2.449  -2.555  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -3.377   3.121  -2.324  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 11