REMARK  Name = BDB008628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107  -1.640  -1.455  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        0.452  -2.623  -2.218  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.868  -2.412  -2.592  0.00  0.00    +0.139 A 
ATOM      4  O   LIG    1       -1.330  -3.466  -3.321  0.00  0.00    -0.463 OA
ATOM      5  C   LIG    1       -0.310  -4.359  -3.416  0.00  0.00    +0.196 A 
ATOM      6  C   LIG    1       -1.610  -1.278  -2.266  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -0.969  -0.288  -1.502  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        0.803  -3.891  -2.759  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        0.383  -0.477  -1.134  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.675   1.014  -1.105  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -3.188   1.091  -1.344  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.318   1.475   0.268  0.00  0.00    -0.291 N 
ATOM     13  C   LIG    1       -1.464   0.712   1.437  0.00  0.00    +0.221 C 
ATOM     14  O   LIG    1       -0.940   1.069   2.499  0.00  0.00    -0.275 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.362  -0.521   1.432  0.00  0.00    +0.090 C 
ATOM     16  C   LIG    1       -1.885  -1.585   2.424  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.114  -2.074   3.058  0.00  0.00    -0.315 NA
ATOM     18  H   LIG    1       -2.900  -2.503   3.958  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -3.924  -0.873   3.244  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1       -3.770  -0.152   1.916  0.00  0.00    +0.029 C 
ENDBRANCH  13  15
BRANCH  12  21
ATOM     21  C   LIG    1       -0.706   2.800   0.421  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.412   3.301  -0.454  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -0.937   3.964  -0.506  0.00  0.00    +0.024 C 
ENDBRANCH  12  21
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  24
ATOM     24  O   LIG    1        2.414  -1.862  -1.113  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.904  -1.211   0.063  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.729   0.011  -0.324  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.239   0.751   0.906  0.00  0.00    +0.163 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.234   1.771   0.105  0.00  0.00    +0.193 C 
ATOM     29  O   LIG    1        4.896   1.965   0.544  0.00  0.00    -0.383 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 9