REMARK  Name = BDB054091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.723  -0.831  -1.893  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -0.533  -1.518  -1.958  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.400  -1.842  -0.870  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        1.282  -2.933  -1.495  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1        2.624  -3.159  -0.802  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        2.967  -2.099   0.245  0.00  0.00    +0.085 C 
ATOM      7  N   LIG    1        2.662  -0.776  -0.293  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        1.404  -2.454  -2.947  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.199  -0.593  -0.398  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        0.011  -1.920  -3.247  0.00  0.00    +0.108 C 
ATOM     11  O   LIG    1       -2.329  -0.496  -2.918  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -2.326  -0.496  -0.509  0.00  0.00    +0.162 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.569  -1.377  -0.235  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -3.229  -2.883  -0.253  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -4.240  -3.760   0.492  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -5.614  -3.113   0.575  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.558  -1.771   1.303  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -4.242  -1.014   1.098  0.00  0.00    +0.006 C 
ENDBRANCH  12  13
BRANCH  12  20
ATOM     19  C   LIG    1       -1.889   1.916  -0.158  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -2.716   0.914  -0.615  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -3.294   1.130  -1.422  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -0.899   1.700   0.540  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.306   3.334  -0.607  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -1.773   3.580  -2.015  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -2.474   4.401   1.570  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -1.752   4.359   0.303  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -0.780   4.098   0.498  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   7  28
ATOM     28  C   LIG    1        3.244   0.318   0.509  0.00  0.00    +0.089 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.761   0.464   0.304  0.00  0.00    +0.050 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.315   1.640   1.074  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1        5.773   1.477   2.388  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.266   2.569   3.105  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.300   3.832   2.517  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.841   4.005   1.213  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.349   2.915   0.494  0.00  0.00    +0.003 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 8