REMARK  Name = BDB008619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.364  -0.538  -0.252  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.394  -1.124   0.465  0.00  0.00    +0.165 A 
ATOM      3  O   LIG    1        4.715  -0.744   0.401  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1        5.414  -1.820   1.064  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1        4.449  -2.530   2.010  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1        3.172  -2.167   1.355  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.900  -2.670   1.577  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.823  -2.108   0.875  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.082  -1.059  -0.053  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.624  -2.582   1.044  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -0.875  -3.721   2.041  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.534  -1.433   1.273  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.456  -1.133   0.251  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.648  -1.901  -0.698  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.198   0.225   0.340  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.442   0.209  -0.383  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.424   0.958  -1.603  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -3.085   0.894  -2.351  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -1.937   1.339  -1.552  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -1.595   2.255  -1.852  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.261   1.367  -0.117  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.664  -0.871   2.604  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -0.580  -0.813   3.650  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.021   0.443   2.974  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   8  10
BRANCH   1  25
ATOM     25  O   LIG    1        2.690   0.488  -1.092  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.609   1.157  -1.747  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.195   2.301  -2.568  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.156   2.984  -3.447  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -0.763   4.348  -3.433  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        0.129   3.569  -2.643  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9