REMARK  Name = BDB026896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.037   0.066  -1.253  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.540   0.256   0.172  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.775  -0.740   0.804  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.321  -0.568   2.112  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.621   0.602   2.806  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.368   1.603   2.190  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.821   1.435   0.880  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.885  -0.127  -2.174  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -1.211  -0.654  -2.988  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -0.264   1.132  -2.581  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.002   0.889  -3.419  0.00  0.00    +0.052 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.309  -0.443  -1.060  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1        4.151   0.874  -1.301  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        3.090   1.257  -2.050  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        2.166   0.385  -2.609  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.353  -0.973  -2.364  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.435  -1.389  -1.590  0.00  0.00    +0.044 A 
BRANCH  12  18
ATOM     18  N   LIG    1        5.402  -0.904  -0.309  0.00  0.00    -0.327 N 
ATOM     19  H   LIG    1        5.078  -1.563   0.397  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        6.202   0.154   0.309  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1        7.226  -0.474   1.267  0.00  0.00    +0.178 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.010  -0.465   3.320  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1        6.605  -1.256   2.300  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.995  -1.155  -1.382  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -2.788  -2.031  -2.230  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.168  -1.253  -0.507  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -5.072  -0.243  -0.034  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -6.001  -0.877   0.798  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -7.032  -0.194   1.455  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -7.137   1.183   1.248  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.250   1.845   0.407  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -5.697  -2.217   0.805  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1       -6.213  -2.920   1.317  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -5.223   1.147  -0.241  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -4.620  -2.459   0.002  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 11