REMARK  Name = BDB002181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.598  -2.126  -0.978  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.286  -3.023  -0.323  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -0.992  -3.972  -1.087  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.840  -4.037  -2.470  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.023  -3.154  -3.108  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.737  -2.207  -2.368  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.527  -2.976   1.134  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.369  -2.004   1.732  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -1.532  -2.009   3.122  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.875  -2.952   3.917  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.049  -3.906   3.335  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        0.123  -3.919   1.953  0.00  0.00    +0.010 A 
BRANCH   8  13
ATOM     13  N   LIG    1       -2.022  -1.065   0.892  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -1.847  -1.175  -0.099  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -2.800   0.005   1.267  0.00  0.00    +0.241 C 
ATOM     16  O   LIG    1       -3.015   0.414   2.400  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.362   0.770   0.125  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -3.859   0.181  -0.972  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.466   0.918  -2.096  0.00  0.00    +0.332 C 
ATOM     20  O   LIG    1       -4.942   0.338  -3.060  0.00  0.00    -0.246 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.404   2.257  -1.912  0.00  0.00    -0.462 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.968   3.058  -2.962  0.00  0.00    +0.229 C 
ATOM     23  C   LIG    1       -3.928   3.319  -4.036  0.00  0.00    +0.048 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  15  17
ENDBRANCH   8  13
ENDBRANCH   2   7
BRANCH   1  25
ATOM     24  C   LIG    1        2.150  -0.180  -0.631  0.00  0.00    +0.241 C 
ATOM     25  N   LIG    1        1.306  -1.179  -0.193  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        1.163  -1.251   0.807  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        2.425   0.106  -1.788  0.00  0.00    -0.270 OA
BRANCH  24  29
ATOM     28  C   LIG    1        3.562   1.609   0.241  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        2.730   0.589   0.500  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     30  C   LIG    1        4.143   2.366   1.362  0.00  0.00    +0.332 C 
ATOM     31  O   LIG    1        3.939   2.129   2.541  0.00  0.00    -0.246 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.926   3.345   0.850  0.00  0.00    -0.462 OA
BRANCH  32  34
ATOM     33  C   LIG    1        6.891   3.578   2.245  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        5.572   4.190   1.812  0.00  0.00    +0.229 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 11