REMARK  Name = BDB037054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.003  -0.908  -2.345  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -1.671  -1.062  -1.185  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.900  -0.536  -1.209  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -3.841  -0.516  -0.072  0.00  0.00    +0.266 C 
ATOM      5  N   LIG    1       -4.999   0.109  -0.531  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -4.856   0.586  -1.902  0.00  0.00    +0.148 C 
ATOM      7  O   LIG    1       -3.633  -0.921   1.056  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.500   0.114  -2.258  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -2.757   0.210  -3.390  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1       -1.508  -0.296  -3.455  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.078   0.507   0.371  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.462   0.640  -0.287  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.761   0.150  -1.373  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.402   1.338   0.436  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -9.312   1.424   0.001  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.174   2.193   1.485  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.056   2.941   1.892  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.804   2.135   2.117  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.735   1.817   1.085  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.427  -1.434  -2.416  0.00  0.00    +0.160 C 
BRANCH  20  25
ATOM     21  C   LIG    1        5.228  -0.331   0.051  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1        4.014  -0.335  -0.604  0.00  0.00    -0.265 N 
ATOM     23  C   LIG    1        3.970  -0.136  -2.049  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        2.774  -0.870  -2.675  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        1.470  -0.418  -2.151  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        1.540  -0.023  -0.727  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        2.738  -0.586   0.064  0.00  0.00    +0.126 C 
ATOM     28  O   LIG    1        6.297  -0.115  -0.507  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1        5.092  -0.603   1.375  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1        5.670  -0.993   3.634  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.247  -0.648   2.253  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        7.221  -1.758   1.841  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        6.935   0.720   2.337  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5