REMARK  Name = BDB008585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.905  -0.708  -0.682  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.676  -1.629  -1.669  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.474  -2.271  -1.376  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.044  -3.264  -2.275  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.846  -3.535  -3.383  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.023  -2.819  -3.552  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.033  -1.704  -0.159  0.00  0.00    -0.001 A 
ATOM      8  N   LIG    1        2.484  -1.855  -2.726  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.888  -0.745   0.235  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.319  -2.078   0.537  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.138  -2.464   2.008  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.346  -1.042   0.276  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.295   0.179   0.969  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.588   0.352   1.968  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.194   1.330   0.473  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -2.415   2.541   0.383  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -3.115   3.705   0.836  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.609   3.663   0.485  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -5.325   2.527   1.092  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -5.803   2.835   1.939  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.377   1.453   1.457  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -3.107  -1.205  -0.949  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -4.615  -1.265  -0.940  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.831  -2.486  -1.291  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.045   0.190  -0.626  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.235  -0.442   0.095  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.488   0.434   0.064  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.331   1.748   0.826  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.959   3.125  -0.233  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.579   2.430   0.947  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9