REMARK  Name = BDB054340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504  -2.559  -1.658  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.196  -1.344  -1.739  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.562  -1.274  -1.435  0.00  0.00    -0.047 A 
ATOM      4  C   LIG    1       -2.236  -2.442  -1.064  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -1.556  -3.658  -0.993  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.194  -3.717  -1.287  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.981  -2.616  -1.967  0.00  0.00    +0.094 C 
BRANCH   7  10
ATOM      8  C   LIG    1        2.671  -3.616   1.182  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1        2.940  -2.376   0.436  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1        2.669  -1.929  -0.842  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1        3.164  -0.647  -0.989  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1        3.691  -0.362   0.188  0.00  0.00    +0.228 A 
ATOM     13  O   LIG    1        3.589  -1.377   1.103  0.00  0.00    -0.440 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.349   0.864   0.630  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        4.498   1.933  -0.267  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.121   3.120   0.128  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.604   3.253   1.427  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.464   2.202   2.332  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.841   1.015   1.936  0.00  0.00    +0.013 A 
ENDBRANCH  12  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  C   LIG    1       -2.291   0.049  -1.487  0.00  0.00    +0.043 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.896   1.003  -0.339  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1       -2.385   0.505   1.018  0.00  0.00    +0.170 C 
ATOM     23  O   LIG    1       -3.805   0.495   1.079  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -4.410   1.756   0.766  0.00  0.00    +0.267 C 
ATOM     25  C   LIG    1       -4.268   2.747   1.925  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1       -3.936   2.319  -0.464  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1       -2.520   2.376  -0.565  0.00  0.00    +0.170 C 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.922   1.464   0.549  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1       -6.864   1.938   1.170  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.170   0.582  -0.452  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.145   0.511  -0.462  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7