REMARK  Name = BDB008652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.893  -1.350  -0.636  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.153  -2.146   0.485  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.133  -2.444   1.385  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.165  -1.994   1.140  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.463  -1.229  -0.004  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.584  -0.925  -0.892  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.903  -0.768  -0.222  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        2.250  -0.272  -1.633  0.00  0.00    +0.033 C 
BRANCH   7   9
ATOM      9  N   LIG    1        2.377   0.197   0.799  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1        3.694   0.037   1.264  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1        4.457  -0.801   0.766  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.156   0.926   2.449  0.00  0.00    +0.217 C 
ATOM     13  O   LIG    1        4.375   2.289   2.062  0.00  0.00    -0.365 OA
ATOM     14  C   LIG    1        5.740   2.712   2.135  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1        6.706   1.632   1.639  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1        6.672   0.414   2.467  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1        6.759  -0.385   1.831  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        5.375   0.291   3.165  0.00  0.00    +0.122 C 
ENDBRANCH  10  12
BRANCH   9  19
ATOM     19  C   LIG    1        1.457   1.171   1.349  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.646   2.650   1.118  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        0.461   1.960   0.533  0.00  0.00    +0.024 C 
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  O   LIG    1       -2.941  -1.054  -1.471  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.965   0.306  -1.920  0.00  0.00    +0.231 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.379   0.610  -2.405  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.551   2.069  -2.800  0.00  0.00    +0.163 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.787   3.731  -4.288  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1       -3.630   2.390  -3.840  0.00  0.00    -0.383 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   2  28
ATOM     28  O   LIG    1       -3.412  -2.584   0.806  0.00  0.00    -0.486 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.887  -3.596  -0.098  0.00  0.00    +0.167 C 
ATOM     30  C   LIG    1       -5.322  -3.246  -0.477  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -3.838  -4.938   0.626  0.00  0.00    +0.051 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 11