REMARK  Name = BDB046440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.442  -0.749  -0.103  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.172  -1.563   0.112  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.767  -0.801   0.873  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -3.067  -0.251   0.924  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -1.865  -0.330   0.202  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.823   0.120  -1.120  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.975   0.608  -1.742  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.191   0.664  -1.054  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1       -4.220   0.237   0.282  0.00  0.00    +0.011 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -5.423   1.206  -1.744  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -5.869   2.566  -1.179  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -7.382   2.560  -1.335  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -7.752   1.129  -0.989  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -6.663   0.292  -1.657  0.00  0.00    +0.008 C 
ENDBRANCH   8  10
BRANCH   4  15
ATOM     15  C   LIG    1       -3.166  -0.694   2.366  0.00  0.00    +0.038 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.885  -3.209   2.029  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.777  -2.088   2.542  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   4  15
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        2.486  -1.544  -0.877  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.624  -0.736  -1.174  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.620  -0.618  -0.245  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        5.683   0.201  -0.643  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        6.785   0.420   0.194  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.800  -0.181   1.458  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.742  -0.996   1.863  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.656  -1.217   1.012  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.878   1.282  -0.246  0.00  0.00    +0.200 A 
ATOM     27  C   LIG    1        9.195   1.098  -0.173  0.00  0.00    +0.240 A 
ATOM     28  N   LIG    1        9.774   2.180  -0.706  0.00  0.00    -0.259 N 
ATOM     29  H   LIG    1       10.762   2.342  -0.804  0.00  0.00    +0.175 HD
ATOM     30  C   LIG    1        8.796   3.044  -1.128  0.00  0.00    +0.421 A 
ATOM     31  O   LIG    1        8.987   4.124  -1.665  0.00  0.00    -0.223 OA
ATOM     32  O   LIG    1        7.541   2.510  -0.860  0.00  0.00    -0.404 OA
BRANCH  27  33
ATOM     33  O   LIG    1        9.949   0.079   0.286  0.00  0.00    -0.491 OA
ATOM     34  H   LIG    1        9.349  -0.659   0.496  0.00  0.00    +0.294 HD
ENDBRANCH  27  33
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11