REMARK  Name = BDB025608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.034  -0.935  -0.774  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.885  -0.307   1.577  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.526  -0.724   1.180  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.022  -0.139   0.007  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -1.373   0.987  -0.354  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -0.644  -0.517   2.340  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -1.508   0.146   3.426  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -2.660   0.761   2.639  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -5.813   1.275  -0.327  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -4.863   0.913   0.697  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -4.664   1.615   1.397  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.900  -0.042   0.436  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.904  -0.715  -0.595  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -2.027  -0.805   4.357  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -2.042  -1.686   3.943  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.342  -0.360  -0.495  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.062  -0.747   0.574  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.194  -0.059   0.564  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.188   0.771  -0.531  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.011   0.587  -1.221  0.00  0.00    +0.139 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.273   1.673  -0.859  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.217   2.561  -1.930  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1        5.211   3.420  -2.271  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.322   3.395  -1.505  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.483   2.555  -0.416  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.443   1.685  -0.093  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1       -0.024  -2.483  -0.646  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -1.385  -3.040  -1.085  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.060  -3.160  -1.501  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6