==================================================================================== -------------------------------ring property (I)------------------------------------ Ring 1 1 1 2 C02 1 2 4 C04 1 3 6 C06 1 4 8 C08 1 5 9 C09 1 6 11 N11 Ring 2 2 1 3 C03 2 2 5 C05 2 3 7 C07 2 4 10 C10 2 5 12 N12 ==================================================================================== -------------------------------ring property (II)------------------------------------ atom[ 2] (C02 ) belongs to one member of 6-membered ring (No 1) atom[ 4] (C04 ) belongs to one member of 6-membered ring (No 1) atom[ 6] (C06 ) belongs to one member of 6-membered ring (No 1) atom[ 8] (C08 ) belongs to one member of 6-membered ring (No 1) atom[ 9] (C09 ) belongs to one member of 6-membered ring (No 1) atom[11] (N11 ) belongs to one member of 6-membered ring (No 1) atom[ 3] (C03 ) belongs to one member of 5-membered ring (No 2) atom[ 5] (C05 ) belongs to one member of 5-membered ring (No 2) atom[ 7] (C07 ) belongs to one member of 5-membered ring (No 2) atom[10] (C10 ) belongs to one member of 5-membered ring (No 2) atom[12] (N12 ) belongs to one member of 5-membered ring (No 2) ==================================================================================== -------------------------------ring property (III)----------------------------------- atom[ 1] (C01 ) is not in any ring (nr[1]=1) atom[ 2] (C02 ) involves in 1 6-member of ring(s) atom[ 3] (C03 ) involves in 1 5-member of ring(s) atom[ 4] (C04 ) involves in 1 6-member of ring(s) atom[ 5] (C05 ) involves in 1 5-member of ring(s) atom[ 6] (C06 ) involves in 1 6-member of ring(s) atom[ 7] (C07 ) involves in 1 5-member of ring(s) atom[ 8] (C08 ) involves in 1 6-member of ring(s) atom[ 9] (C09 ) involves in 1 6-member of ring(s) atom[10] (C10 ) involves in 1 5-member of ring(s) atom[11] (N11 ) involves in 1 6-member of ring(s) atom[12] (N12 ) involves in 1 5-member of ring(s) atom[13] (H011) is not in any ring (nr[13]=1) atom[14] (H012) is not in any ring (nr[14]=1) atom[15] (H013) is not in any ring (nr[15]=1) atom[16] (H02 ) is not in any ring (nr[16]=1) atom[17] (H031) is not in any ring (nr[17]=1) atom[18] (H032) is not in any ring (nr[18]=1) atom[19] (H04 ) is not in any ring (nr[19]=1) atom[20] (H051) is not in any ring (nr[20]=1) atom[21] (H052) is not in any ring (nr[21]=1) atom[22] (H06 ) is not in any ring (nr[22]=1) atom[23] (H071) is not in any ring (nr[23]=1) atom[24] (H072) is not in any ring (nr[24]=1) atom[25] (H08 ) is not in any ring (nr[25]=1) atom[26] (H10 ) is not in any ring (nr[26]=1) ==================================================================================== -------------------------------aromatic property------------------------------------ atom[ 2] (C02 ) is in 1 pure aromatic ring(s) (AR1) atom[ 3] (C03 ) is in 1 non-planar ring(s) (AR4) atom[ 4] (C04 ) is in 1 pure aromatic ring(s) (AR1) atom[ 5] (C05 ) is in 1 non-planar ring(s) (AR4) atom[ 6] (C06 ) is in 1 pure aromatic ring(s) (AR1) atom[ 7] (C07 ) is in 1 non-planar ring(s) (AR4) atom[ 8] (C08 ) is in 1 pure aromatic ring(s) (AR1) atom[ 9] (C09 ) is in 1 pure aromatic ring(s) (AR1) atom[10] (C10 ) is in 1 non-planar ring(s) (AR4) atom[11] (N11 ) is in 1 pure aromatic ring(s) (AR1) atom[12] (N12 ) is in 1 non-planar ring(s) (AR4) ==================================================================================== -------------------------------electronic property---------------------------------- atom [ 1] (C01 ) is not an electron-withdrew atom atom [ 2] (C02 ) is not an electron-withdrew atom atom [ 3] (C03 ) is not an electron-withdrew atom atom [ 4] (C04 ) is not an electron-withdrew atom atom [ 5] (C05 ) is not an electron-withdrew atom atom [ 6] (C06 ) is not an electron-withdrew atom atom [ 7] (C07 ) is not an electron-withdrew atom atom [ 8] (C08 ) is not an electron-withdrew atom atom [ 9] (C09 ) is not an electron-withdrew atom atom [10] (C10 ) is not an electron-withdrew atom atom [11] (N11 ) is an electron-withdrew atom atom [12] (N12 ) is an electron-withdrew atom atom [13] (H011) is not an electron-withdrew atom atom [14] (H012) is not an electron-withdrew atom atom [15] (H013) is not an electron-withdrew atom atom [16] (H02 ) is not an electron-withdrew atom atom [17] (H031) is not an electron-withdrew atom atom [18] (H032) is not an electron-withdrew atom atom [19] (H04 ) is not an electron-withdrew atom atom [20] (H051) is not an electron-withdrew atom atom [21] (H052) is not an electron-withdrew atom atom [22] (H06 ) is not an electron-withdrew atom atom [23] (H071) is not an electron-withdrew atom atom [24] (H072) is not an electron-withdrew atom atom [25] (H08 ) is not an electron-withdrew atom atom [26] (H10 ) is not an electron-withdrew atom ==================================================================================== --------------------------------connectivity property------------------------------- atom[ 1] (C01 ) 12 N12 atom[ 1] (C01 ) 13 H011 atom[ 1] (C01 ) 14 H012 atom[ 1] (C01 ) 15 H013 atom[ 2] (C02 ) 4 C04 atom[ 2] (C02 ) 6 C06 atom[ 2] (C02 ) 16 H02 atom[ 3] (C03 ) 5 C05 atom[ 3] (C03 ) 7 C07 atom[ 3] (C03 ) 17 H031 atom[ 3] (C03 ) 18 H032 atom[ 4] (C04 ) 2 C02 atom[ 4] (C04 ) 9 C09 atom[ 4] (C04 ) 19 H04 atom[ 5] (C05 ) 3 C03 atom[ 5] (C05 ) 10 C10 atom[ 5] (C05 ) 20 H051 atom[ 5] (C05 ) 21 H052 atom[ 6] (C06 ) 2 C02 atom[ 6] (C06 ) 11 N11 atom[ 6] (C06 ) 22 H06 atom[ 7] (C07 ) 3 C03 atom[ 7] (C07 ) 12 N12 atom[ 7] (C07 ) 23 H071 atom[ 7] (C07 ) 24 H072 atom[ 8] (C08 ) 9 C09 atom[ 8] (C08 ) 11 N11 atom[ 8] (C08 ) 25 H08 atom[ 9] (C09 ) 4 C04 atom[ 9] (C09 ) 8 C08 atom[ 9] (C09 ) 10 C10 atom[10] (C10 ) 5 C05 atom[10] (C10 ) 9 C09 atom[10] (C10 ) 12 N12 atom[10] (C10 ) 26 H10 atom[11] (N11 ) 6 C06 atom[11] (N11 ) 8 C08 atom[12] (N12 ) 1 C01 atom[12] (N12 ) 7 C07 atom[12] (N12 ) 10 C10 atom[13] (H011) 1 C01 atom[14] (H012) 1 C01 atom[15] (H013) 1 C01 atom[16] (H02 ) 2 C02 atom[17] (H031) 3 C03 atom[18] (H032) 3 C03 atom[19] (H04 ) 4 C04 atom[20] (H051) 5 C05 atom[21] (H052) 5 C05 atom[22] (H06 ) 6 C06 atom[23] (H071) 7 C07 atom[24] (H072) 7 C07 atom[25] (H08 ) 8 C08 atom[26] (H10 ) 10 C10 ----------------------------------------END-----------------------------------------