REMARK  Name = BDB004654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.862   0.817   0.040  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.235   1.470  -0.642  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -6.368  -0.116   1.579  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -5.115  -0.583   1.127  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -4.123   0.378   0.848  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.881  -0.112   0.386  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1       -2.639  -1.426   0.246  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.637  -2.254   0.538  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -4.391   1.757   1.048  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.629   2.194   1.497  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -4.855  -1.900   0.961  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -6.617   1.259   1.758  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -7.348  -2.366   1.745  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.461  -2.749   1.429  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -8.112  -2.986   1.972  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -7.514  -1.023   1.903  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -8.588  -0.583   2.303  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.489   0.577  -0.186  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        0.242   1.483  -0.966  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.621   1.328  -1.167  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.306   0.272  -0.572  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.593  -0.613   0.242  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.216  -0.454   0.441  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        3.691   0.046  -0.718  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        4.054  -0.762  -0.230  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        4.574   0.743  -1.522  0.00  0.00    +0.248 C 
ATOM     27  O   LIG    1        4.302   1.643  -2.307  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        5.992   0.293  -1.426  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        6.778   0.308  -2.585  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.109  -0.107  -2.534  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.662  -0.527  -1.324  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.889  -0.525  -0.162  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.556  -0.112  -0.209  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5