REMARK  Name = BDB007946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.714  -0.732   0.056  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.216   0.471  -0.759  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1        0.938   1.059  -0.163  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1       -0.182   0.105  -0.106  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.257  -1.296   0.041  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        1.566  -1.417   0.817  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.818  -0.289   1.014  0.00  0.00    +0.166 C 
ATOM      8  O   LIG    1        3.566   0.136   2.141  0.00  0.00    -0.292 OA
BRANCH   7  12
ATOM      9  C   LIG    1        7.973  -0.429  -0.132  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        6.979  -0.534  -1.109  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.624  -0.490  -0.764  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        5.247  -0.345   0.574  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        6.245  -0.231   1.552  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        7.600  -0.275   1.202  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       10.301  -0.367   0.343  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        9.252  -0.489  -0.610  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -1.085   0.259  -1.274  0.00  0.00    +0.180 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.431  -0.426  -1.021  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1       -2.900  -0.284   0.266  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1       -2.212   0.044   0.940  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.078  -0.990  -1.901  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.073  -0.990   0.740  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.345  -0.264   0.322  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -5.614  -0.251  -1.015  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -4.934  -0.628  -1.672  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.679   0.415  -1.534  0.00  0.00    +0.255 A 
ATOM     27  O   LIG    1       -6.864   0.518  -2.742  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -7.602   1.020  -0.538  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -8.833   1.657  -1.104  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -7.253   0.923   0.760  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -8.068   1.526   1.876  0.00  0.00    +0.066 C 
ATOM     32  N   LIG    1       -6.111   0.291   1.204  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7