REMARK  Name = BDB003345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.538   1.409   0.897  0.00  0.00    +0.197 C 
ATOM      2  N   LIG    1       -1.194   1.529   0.305  0.00  0.00    -0.255 NA
ATOM      3  C   LIG    1       -0.594   0.449  -0.104  0.00  0.00    +0.129 C 
ATOM      4  C   LIG    1       -1.209  -0.915   0.075  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.243  -1.055   1.009  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1       -2.803  -2.316   1.241  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.351  -3.423   0.521  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.338  -3.277  -0.426  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.765  -2.025  -0.651  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.697   0.161   1.762  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   3  11
ATOM     11  N   LIG    1        0.634   0.551  -0.751  0.00  0.00    -0.285 N 
ATOM     12  C   LIG    1        1.862   0.115  -0.175  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        3.085   0.283  -0.863  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1        4.292  -0.171  -0.299  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.312  -0.814   0.943  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        3.111  -0.969   1.634  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.150   1.006  -2.186  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.778   1.182  -2.813  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.909  -0.513   1.082  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        0.788   1.619  -1.746  0.00  0.00    +0.113 C 
BRANCH  15  21
ATOM     21  C   LIG    1        5.612  -1.267   1.548  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  O   LIG    1        6.234  -0.202   2.253  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        5.616   0.549   2.263  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   3  11
BRANCH   1  27
ATOM     24  C   LIG    1       -5.960   2.055  -0.649  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1       -4.868   1.851   0.269  0.00  0.00    -0.317 N 
ATOM     26  H   LIG    1       -4.917   2.309   1.169  0.00  0.00    +0.148 HD
ATOM     27  C   LIG    1       -3.617   1.485  -0.206  0.00  0.00    +0.238 C 
ATOM     28  O   LIG    1       -3.416   1.229  -1.391  0.00  0.00    -0.273 OA
ENDBRANCH   1  27
TORSDOF 4