REMARK  Name = BDB060603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.165  -0.076   1.818  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -2.895  -1.500   1.308  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.741  -1.275   0.351  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1       -0.945  -0.208   1.098  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1       -1.931   0.681   1.658  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -7.576   1.017   0.166  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1       -6.184   1.154   0.298  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -5.273   2.027  -0.263  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -4.111   1.672   0.247  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -4.225   0.601   1.093  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -5.551   0.269   1.154  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1       -6.118  -0.710   1.877  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1       -7.452  -0.738   1.682  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -8.201   0.059   0.889  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -8.347   1.830  -0.655  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -7.900   2.711  -0.881  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -9.315   1.854  -0.362  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -2.455  -2.355   2.378  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.943  -3.065   1.936  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -1.012  -2.474   0.120  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -0.214  -2.201  -0.382  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        0.019   0.563   0.181  0.00  0.00    +0.118 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.034  -0.297  -0.462  0.00  0.00    -0.300 NA
ATOM     24  C   LIG    1        1.681   0.388  -1.598  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.025   1.023  -1.238  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        4.064  -0.045  -0.789  0.00  0.00    -0.025 C 
ATOM     27  C   LIG    1        4.860  -0.551  -2.027  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1        6.268  -1.005  -1.648  0.00  0.00    +0.081 C 
ATOM     29  N   LIG    1        7.081   0.075  -1.086  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1        7.669   0.486  -1.810  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        6.304   1.134  -0.441  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1        5.050   0.588   0.238  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1        3.317  -1.240  -0.128  0.00  0.00    +0.022 C 
ATOM     34  C   LIG    1        2.013  -0.791   0.532  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6