REMARK  Name = BDB056763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.883   0.335   0.318  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.758  -0.450   0.604  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.525   0.003   0.116  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.395   1.188  -0.602  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.910   1.407  -0.957  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.596   0.392  -0.462  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.530   1.973  -0.857  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.756  -0.492   0.183  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.150  -1.720   0.833  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.774   1.540  -0.384  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.084  -0.108   0.831  0.00  0.00    -0.456 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -8.841   0.810   0.257  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -7.534   0.333  -0.300  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -6.380   0.339   0.494  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -5.167  -0.124  -0.021  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -5.104  -0.643  -1.315  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.253  -0.666  -2.106  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -7.461  -0.182  -1.601  0.00  0.00    +0.003 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.074   0.201  -0.595  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.604   0.080   0.726  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.955  -0.092   0.842  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.863  -0.197  -0.210  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        7.227  -0.371   0.064  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        7.685  -0.469   1.383  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.775  -0.363   2.432  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.419  -0.171   2.159  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        8.159  -0.488  -1.079  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.892  -1.111  -2.090  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.305   0.201  -0.899  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        9.308   0.792  -0.122  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7