REMARK  Name = BDB046545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.391  -0.041   0.557  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.672  -1.251  -0.143  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.386  -1.333  -1.513  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.708  -2.476  -2.249  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.296  -3.569  -1.620  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.571  -3.513  -0.258  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        0.824  -0.315  -2.233  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1        0.093   0.617  -1.442  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.265  -2.361   0.475  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.720   0.988  -0.094  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.546   2.106   0.393  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.882   0.191   1.912  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.388   0.483   2.012  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.819   1.837   1.433  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.140   1.828  -0.067  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.174   0.270  -0.003  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        5.623   1.630  -0.397  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1       -1.337   0.095  -1.253  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.300   1.161  -0.737  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.620   0.620  -0.645  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.021   0.037   0.528  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -5.379  -0.329   0.586  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.886  -0.932   1.749  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.053  -1.181   2.837  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.708  -0.829   2.773  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.193  -0.223   1.625  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -6.306  -0.060  -0.579  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.688   1.393  -0.723  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -6.640   2.276   0.117  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.194   1.663  -1.947  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -7.400   2.620  -1.899  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