==================================================================================== -------------------------------ring property (I)------------------------------------ Ring 1 1 1 3 C03 1 2 4 C04 1 3 5 C05 1 4 6 C06 1 5 10 C10 1 6 11 C11 Ring 2 2 1 12 C12 2 2 13 C13 2 3 14 C14 2 4 15 C15 2 5 16 N16 2 6 17 N17 ==================================================================================== -------------------------------ring property (II)------------------------------------ atom[ 3] (C03 ) belongs to one member of 6-membered ring (No 1) atom[ 4] (C04 ) belongs to one member of 6-membered ring (No 1) atom[ 5] (C05 ) belongs to one member of 6-membered ring (No 1) atom[ 6] (C06 ) belongs to one member of 6-membered ring (No 1) atom[10] (C10 ) belongs to one member of 6-membered ring (No 1) atom[11] (C11 ) belongs to one member of 6-membered ring (No 1) atom[12] (C12 ) belongs to one member of 6-membered ring (No 2) atom[13] (C13 ) belongs to one member of 6-membered ring (No 2) atom[14] (C14 ) belongs to one member of 6-membered ring (No 2) atom[15] (C15 ) belongs to one member of 6-membered ring (No 2) atom[16] (N16 ) belongs to one member of 6-membered ring (No 2) atom[17] (N17 ) belongs to one member of 6-membered ring (No 2) ==================================================================================== -------------------------------ring property (III)----------------------------------- atom[ 1] (C01 ) is not in any ring (nr[1]=1) atom[ 2] (C02 ) is not in any ring (nr[2]=1) atom[ 3] (C03 ) involves in 1 6-member of ring(s) atom[ 4] (C04 ) involves in 1 6-member of ring(s) atom[ 5] (C05 ) involves in 1 6-member of ring(s) atom[ 6] (C06 ) involves in 1 6-member of ring(s) atom[ 7] (C07 ) is not in any ring (nr[7]=1) atom[ 8] (C08 ) is not in any ring (nr[8]=1) atom[ 9] (C09 ) is not in any ring (nr[9]=1) atom[10] (C10 ) involves in 1 6-member of ring(s) atom[11] (C11 ) involves in 1 6-member of ring(s) atom[12] (C12 ) involves in 1 6-member of ring(s) atom[13] (C13 ) involves in 1 6-member of ring(s) atom[14] (C14 ) involves in 1 6-member of ring(s) atom[15] (C15 ) involves in 1 6-member of ring(s) atom[16] (N16 ) involves in 1 6-member of ring(s) atom[17] (N17 ) involves in 1 6-member of ring(s) atom[18] (O18 ) is not in any ring (nr[18]=1) atom[19] (O19 ) is not in any ring (nr[19]=1) atom[20] (O20 ) is not in any ring (nr[20]=1) atom[21] (H011) is not in any ring (nr[21]=1) atom[22] (H012) is not in any ring (nr[22]=1) atom[23] (H013) is not in any ring (nr[23]=1) atom[24] (H021) is not in any ring (nr[24]=1) atom[25] (H022) is not in any ring (nr[25]=1) atom[26] (H023) is not in any ring (nr[26]=1) atom[27] (H03 ) is not in any ring (nr[27]=1) atom[28] (H04 ) is not in any ring (nr[28]=1) atom[29] (H05 ) is not in any ring (nr[29]=1) atom[30] (H06 ) is not in any ring (nr[30]=1) atom[31] (H07 ) is not in any ring (nr[31]=1) atom[32] (H08 ) is not in any ring (nr[32]=1) atom[33] (H09 ) is not in any ring (nr[33]=1) atom[34] (H16 ) is not in any ring (nr[34]=1) atom[35] (H17 ) is not in any ring (nr[35]=1) atom[36] (H18 ) is not in any ring (nr[36]=1) ==================================================================================== -------------------------------aromatic property------------------------------------ atom[ 3] (C03 ) is in 1 pure aromatic ring(s) (AR1) atom[ 4] (C04 ) is in 1 pure aromatic ring(s) (AR1) atom[ 5] (C05 ) is in 1 pure aromatic ring(s) (AR1) atom[ 6] (C06 ) is in 1 pure aromatic ring(s) (AR1) atom[10] (C10 ) is in 1 pure aromatic ring(s) (AR1) atom[11] (C11 ) is in 1 pure aromatic ring(s) (AR1) atom[12] (C12 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) atom[13] (C13 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) atom[14] (C14 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) atom[15] (C15 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) atom[16] (N16 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) atom[17] (N17 ) is in 1 planar ring(s), which has/have "outside" bonds (AR3) ==================================================================================== -------------------------------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] (C11 ) is not an electron-withdrew atom atom [12] (C12 ) is not an electron-withdrew atom atom [13] (C13 ) is not an electron-withdrew atom atom [14] (C14 ) is not an electron-withdrew atom atom [15] (C15 ) is not an electron-withdrew atom atom [16] (N16 ) is an electron-withdrew atom atom [17] (N17 ) is an electron-withdrew atom atom [18] (O18 ) is an electron-withdrew atom atom [19] (O19 ) is an electron-withdrew atom atom [20] (O20 ) is an electron-withdrew atom atom [21] (H011) is not an electron-withdrew atom atom [22] (H012) is not an electron-withdrew atom atom [23] (H013) is not an electron-withdrew atom atom [24] (H021) is not an electron-withdrew atom atom [25] (H022) is not an electron-withdrew atom atom [26] (H023) is not an electron-withdrew atom atom [27] (H03 ) is not an electron-withdrew atom atom [28] (H04 ) is not an electron-withdrew atom atom [29] (H05 ) is not an electron-withdrew atom atom [30] (H06 ) is not an electron-withdrew atom atom [31] (H07 ) is not an electron-withdrew atom atom [32] (H08 ) is not an electron-withdrew atom atom [33] (H09 ) is not an electron-withdrew atom atom [34] (H16 ) is not an electron-withdrew atom atom [35] (H17 ) is not an electron-withdrew atom atom [36] (H18 ) is not an electron-withdrew atom ==================================================================================== --------------------------------connectivity property------------------------------- atom[ 1] (C01 ) 9 C09 atom[ 1] (C01 ) 21 H011 atom[ 1] (C01 ) 22 H012 atom[ 1] (C01 ) 23 H013 atom[ 2] (C02 ) 9 C09 atom[ 2] (C02 ) 24 H021 atom[ 2] (C02 ) 25 H022 atom[ 2] (C02 ) 26 H023 atom[ 3] (C03 ) 5 C05 atom[ 3] (C03 ) 10 C10 atom[ 3] (C03 ) 27 H03 atom[ 4] (C04 ) 6 C06 atom[ 4] (C04 ) 10 C10 atom[ 4] (C04 ) 28 H04 atom[ 5] (C05 ) 3 C03 atom[ 5] (C05 ) 11 C11 atom[ 5] (C05 ) 29 H05 atom[ 6] (C06 ) 4 C04 atom[ 6] (C06 ) 11 C11 atom[ 6] (C06 ) 30 H06 atom[ 7] (C07 ) 9 C09 atom[ 7] (C07 ) 12 C12 atom[ 7] (C07 ) 31 H07 atom[ 8] (C08 ) 10 C10 atom[ 8] (C08 ) 13 C13 atom[ 8] (C08 ) 32 H08 atom[ 9] (C09 ) 1 C01 atom[ 9] (C09 ) 2 C02 atom[ 9] (C09 ) 7 C07 atom[ 9] (C09 ) 33 H09 atom[10] (C10 ) 3 C03 atom[10] (C10 ) 4 C04 atom[10] (C10 ) 8 C08 atom[11] (C11 ) 5 C05 atom[11] (C11 ) 6 C06 atom[11] (C11 ) 18 O18 atom[12] (C12 ) 7 C07 atom[12] (C12 ) 14 C14 atom[12] (C12 ) 16 N16 atom[13] (C13 ) 8 C08 atom[13] (C13 ) 15 C15 atom[13] (C13 ) 17 N17 atom[14] (C14 ) 12 C12 atom[14] (C14 ) 17 N17 atom[14] (C14 ) 19 O19 atom[15] (C15 ) 13 C13 atom[15] (C15 ) 16 N16 atom[15] (C15 ) 20 O20 atom[16] (N16 ) 12 C12 atom[16] (N16 ) 15 C15 atom[16] (N16 ) 34 H16 atom[17] (N17 ) 13 C13 atom[17] (N17 ) 14 C14 atom[17] (N17 ) 35 H17 atom[18] (O18 ) 11 C11 atom[18] (O18 ) 36 H18 atom[19] (O19 ) 14 C14 atom[20] (O20 ) 15 C15 atom[21] (H011) 1 C01 atom[22] (H012) 1 C01 atom[23] (H013) 1 C01 atom[24] (H021) 2 C02 atom[25] (H022) 2 C02 atom[26] (H023) 2 C02 atom[27] (H03 ) 3 C03 atom[28] (H04 ) 4 C04 atom[29] (H05 ) 5 C05 atom[30] (H06 ) 6 C06 atom[31] (H07 ) 7 C07 atom[32] (H08 ) 8 C08 atom[33] (H09 ) 9 C09 atom[34] (H16 ) 16 N16 atom[35] (H17 ) 17 N17 atom[36] (H18 ) 18 O18 ----------------------------------------END-----------------------------------------