REMARK  Name = BDB003477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.288   3.276  -1.585  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.890   2.116  -0.961  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        2.083   1.486  -0.620  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1        2.068   0.238   0.047  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        0.811  -0.314   0.363  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.381   0.332   0.016  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        3.170   2.225  -1.037  0.00  0.00    -0.234 NA
ATOM      8  C   LIG    1       -0.358   1.559  -0.659  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        2.658   3.292  -1.605  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.596   4.454  -3.645  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1        0.420   4.312  -2.133  0.00  0.00    +0.083 C 
ATOM     12  C   LIG    1        0.621   5.651  -1.421  0.00  0.00    +0.030 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1        3.272  -0.411   0.409  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        4.035   0.209   0.114  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.435  -1.720  -0.219  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.835  -2.227   0.037  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        5.219  -2.627   1.325  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        6.512  -3.094   1.567  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.435  -3.161   0.526  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.069  -2.756  -0.757  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.776  -2.289  -1.001  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  O   LIG    1       -1.644  -0.129   0.279  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.761  -1.336   1.031  0.00  0.00    +0.232 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.242  -1.670   1.262  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -3.957  -0.574   2.064  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.441  -0.902   2.247  0.00  0.00    +0.084 C 
ATOM     27  N   LIG    1       -6.105  -1.101   0.952  0.00  0.00    -0.305 NA
ATOM     28  C   LIG    1       -7.530  -1.369   1.141  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -5.473  -2.184   0.188  0.00  0.00    +0.084 C 
ATOM     30  C   LIG    1       -3.991  -1.896  -0.059  0.00  0.00    +0.022 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7