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Table 3 Result of the \(Sstate_{3D}\) calculation for each atom of the molecule 6c

From: Maximum common property: a new approach for molecular similarity

Molecule 6c
Atom Number Sstate3D Atom Number Sstate3D
C 1 0.35527 C 20 3.314
C 2 4.17197 C 21 2.96595
C 3 − 2.19195 N 22 − 2.22668
C 4 4.25527 C 23 2.94306
C 5 0.37013 C 24 3.25612
C 6 0.50352 C 25 8.9881
C 7 0.21375 N 26 − 1.46525
C 8 4.23211 C 27 3.52712
C 9 − 0.24053 C 28 2.94719
C 10 3.50889 C 29 2.85191
C 11 3.00512 C 30 2.95634
C 12 2.94959 C 31 3.54763
C 13 3.09722 C 32 − 0.13708
C 14 3.69435 C 33 3.3945
O 15 − 0.48635 C 34 2.9161
C 16 − 0.31876 C 35 2.85145
O 17 5.6053 C 36 2.96557
C 18 3.73854 C 37 3.52272
N 19 − 1.66555