REMARK  Name = BDB048734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.642  -0.304   0.558  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        3.073   0.922   0.180  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.685   1.077   0.092  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.840   0.008   0.379  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.397  -1.215   0.752  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.783  -1.376   0.837  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        8.238  -0.820  -1.569  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        7.261  -1.040  -0.441  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        5.803  -0.777  -0.723  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        5.151  -0.447   0.613  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        5.583  -1.362   1.634  0.00  0.00    -0.290 N 
ATOM     12  H   LIG    1        5.086  -1.417   2.514  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        6.900  -1.699   1.754  0.00  0.00    +0.324 C 
ATOM     14  O   LIG    1        7.287  -2.207   2.800  0.00  0.00    -0.251 OA
ATOM     15  N   LIG    1        7.729  -1.434   0.701  0.00  0.00    -0.172 NA
BRANCH   9  16
ATOM     16  C   LIG    1        5.159  -1.934  -1.438  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        5.394  -3.120  -1.288  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.242  -1.534  -2.344  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        3.865  -2.367  -2.699  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1       -0.526   0.023   0.327  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.151   1.249  -0.071  0.00  0.00    +0.270 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.669   1.056  -0.093  0.00  0.00    +0.270 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.142   1.033   1.256  0.00  0.00    -0.486 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.500   0.946   1.473  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1       -5.524   0.835   0.507  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -6.854   0.767   0.988  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.902   0.661   0.065  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -7.636   0.614  -1.296  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.317   0.677  -1.705  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.973   0.634  -3.163  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1       -7.138   0.804   2.363  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -6.113   0.909   3.293  0.00  0.00    +0.004 A 
ATOM     33  N   LIG    1       -5.289   0.790  -0.831  0.00  0.00    -0.248 NA
ATOM     34  C   LIG    1       -4.801   0.980   2.847  0.00  0.00    +0.048 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8