P6D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C03 | sing | 0.00Å | 1.36Å | |
C04 | O05 | sing | 0.00Å | 1.41Å | |
O10 | C03 | sing | 0.00Å | 1.65Å | |
O10 | C11 | sing | 0.00Å | 1.31Å | |
C03 | C02 | sing | 0.00Å | 1.56Å | |
O22 | C21 | doub | 0.00Å | 1.18Å | |
C11 | N16 | sing | 0.00Å | 1.47Å | |
C11 | C12 | sing | 0.00Å | 1.65Å | |
C21 | N20 | sing | 0.00Å | 1.49Å | |
C21 | N16 | sing | 0.00Å | 1.49Å | |
N20 | C19 | doub | 0.00Å | 1.46Å | |
N16 | C17 | sing | 0.00Å | 1.48Å | |
C19 | N23 | sing | 0.00Å | 1.45Å | |
C19 | C18 | sing | 0.00Å | 1.49Å | |
C17 | C18 | doub | 0.00Å | 1.51Å | |
C02 | C12 | sing | 0.00Å | 1.32Å | |
C02 | O01 | sing | 0.00Å | 1.48Å | |
C12 | N13 | sing | 0.00Å | 1.48Å | |
N13 | N14 | doub | 0.00Å | 1.24Å | |
N14 | N15 | doub | 0.00Å | 1.23Å | |
C02 | H1 | sing | 0.00Å | 1.10Å | |
C03 | H2 | sing | 0.00Å | 1.10Å | |
C04 | H3 | sing | 0.00Å | 1.10Å | |
C04 | H4 | sing | 0.00Å | 1.10Å | |
C11 | H5 | sing | 0.00Å | 1.10Å | |
C12 | H6 | sing | 0.00Å | 1.10Å | |
C17 | H7 | sing | 0.00Å | 1.08Å | |
C18 | H8 | sing | 0.00Å | 1.08Å | |
N15 | H10 | sing | 0.00Å | 0.98Å | |
N23 | H11 | sing | 0.00Å | 1.00Å | |
N23 | H12 | sing | 0.00Å | 1.00Å | |
O01 | H13 | sing | 0.00Å | 0.95Å | |
O05 | H14 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C03 | C04 | O05 | 105.4° | 90.0° |
C04 | C03 | O10 | 114.7° | 90.0° |
C04 | C03 | C02 | 108.1° | 90.0° |
C04 | C03 | H2 | 112.4° | 90.0° |
C03 | C04 | H3 | 110.5° | 90.0° |
C03 | C04 | H4 | 110.5° | 90.0° |
O05 | C04 | H3 | 110.5° | 90.0° |
O05 | C04 | H4 | 110.5° | 90.0° |
C04 | O05 | H14 | 109.5° | 90.0° |
C03 | O10 | C11 | 99.8° | 90.0° |
O10 | C03 | C02 | 103.7° | 90.0° |
O10 | C03 | H2 | 108.3° | 90.0° |
O10 | C11 | N16 | 117.1° | 90.0° |
O10 | C11 | C12 | 99.4° | 90.0° |
O10 | C11 | H5 | 110.2° | 90.0° |
C03 | C02 | C12 | 101.1° | 90.0° |
C03 | C02 | O01 | 112.6° | 90.0° |
C03 | C02 | H1 | 108.8° | 90.0° |
C02 | C03 | H2 | 109.3° | 90.0° |
O22 | C21 | N20 | 120.7° | 90.0° |
O22 | C21 | N16 | 117.7° | 90.0° |
N16 | C11 | C12 | 115.7° | 90.0° |
C11 | N16 | C21 | 116.5° | 90.0° |
C11 | N16 | C17 | 125.4° | 90.0° |
N16 | C11 | H5 | 107.8° | 90.0° |
C11 | C12 | C02 | 113.0° | 90.0° |
C11 | C12 | N13 | 125.9° | 90.0° |
C12 | C11 | H5 | 105.9° | 90.0° |
C11 | C12 | H6 | 95.0° | 90.0° |
N20 | C21 | N16 | 121.6° | 90.0° |
C21 | N20 | C19 | 119.2° | 90.0° |
C21 | N16 | C17 | 118.1° | 90.0° |
N20 | C19 | N23 | 119.6° | 90.0° |
N20 | C19 | C18 | 121.3° | 90.0° |
N16 | C17 | C18 | 121.0° | 90.0° |
N16 | C17 | H7 | 119.5° | 90.0° |
N23 | C19 | C18 | 119.2° | 90.0° |
C19 | N23 | H11 | 120.0° | 90.0° |
C19 | N23 | H12 | 120.0° | 90.0° |
C19 | C18 | C17 | 118.8° | 90.0° |
C19 | C18 | H8 | 120.7° | 90.0° |
C18 | C17 | H7 | 119.5° | 90.0° |
C17 | C18 | H8 | 120.6° | 90.0° |
C12 | C02 | O01 | 111.8° | 90.0° |
C02 | C12 | N13 | 118.3° | 90.0° |
C12 | C02 | H1 | 112.4° | 90.0° |
C02 | C12 | H6 | 96.2° | 90.0° |
O01 | C02 | H1 | 109.8° | 90.0° |
C02 | O01 | H13 | 109.5° | 90.0° |
C12 | N13 | N14 | 123.8° | 90.0° |
N13 | C12 | H6 | 95.5° | 90.0° |
N13 | N14 | N15 | 115.7° | 90.0° |
N14 | N15 | H10 | 119.9° | 90.0° |
H3 | C04 | H4 | 109.5° | 90.0° |
H11 | N23 | H12 | 120.0° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C03 | C04 | O05 | H3 | 119.4° | 90.0° |
C03 | C04 | O05 | H4 | 119.4° | 90.0° |
C04 | C03 | O10 | C02 | 117.7° | 90.0° |
C04 | C03 | O10 | H2 | 126.4° | 90.0° |
C04 | C03 | O10 | C11 | 161.8° | 90.0° |
C04 | C03 | C02 | H2 | 122.6° | 90.0° |
C04 | C03 | C02 | C12 | 140.5° | 90.0° |
C04 | C03 | C02 | O01 | 100.0° | 90.0° |
C04 | C03 | C02 | H1 | 22.0° | 90.0° |
C03 | C04 | H3 | H4 | 121.9° | 90.0° |
C03 | C04 | O05 | H14 | 180.0° | 90.0° |
O05 | C04 | C03 | O10 | 139.0° | 90.0° |
O05 | C04 | C03 | C02 | 23.9° | 90.0° |
O05 | C04 | C03 | H2 | 96.7° | 90.0° |
O05 | C04 | H3 | H4 | 121.8° | 90.0° |
O10 | C03 | C02 | H2 | 115.3° | 90.0° |
C03 | O10 | C11 | N16 | 169.6° | 90.0° |
C03 | O10 | C11 | C12 | 44.3° | 90.0° |
O10 | C03 | C02 | C12 | 18.4° | 90.0° |
O10 | C03 | C02 | O01 | 137.9° | 90.0° |
O10 | C03 | C02 | H1 | 100.1° | 90.0° |
O10 | C03 | C04 | H3 | 19.7° | 90.0° |
O10 | C03 | C04 | H4 | 101.6° | 90.0° |
C03 | O10 | C11 | H5 | 66.7° | 90.0° |
C11 | O10 | C03 | C02 | 44.1° | 90.0° |
O10 | C11 | N16 | C12 | 116.8° | 90.0° |
O10 | C11 | N16 | H5 | 124.9° | 90.0° |
O10 | C11 | C12 | H5 | 114.3° | 90.0° |
O10 | C11 | N16 | C21 | 107.5° | 90.0° |
O10 | C11 | N16 | C17 | 73.8° | 90.0° |
O10 | C11 | C12 | C02 | 38.6° | 90.0° |
O10 | C11 | C12 | N13 | 160.8° | 90.0° |
C11 | O10 | C03 | H2 | 71.8° | 90.0° |
O10 | C11 | C12 | H6 | 60.3° | 90.0° |
C03 | C02 | C12 | C11 | 8.0° | 90.0° |
C03 | C02 | C12 | O01 | 120.1° | 90.0° |
C03 | C02 | C12 | H1 | 115.8° | 90.0° |
C03 | C02 | O01 | H1 | 121.4° | 90.0° |
C03 | C02 | C12 | N13 | 170.2° | 90.0° |
C02 | C03 | C04 | H3 | 95.4° | 90.0° |
C02 | C03 | C04 | H4 | 143.3° | 90.0° |
C03 | C02 | C12 | H6 | 90.1° | 90.0° |
C03 | C02 | O01 | H13 | 180.0° | 90.0° |
O22 | C21 | N16 | C11 | 0.9° | 90.0° |
O22 | C21 | N20 | N16 | 179.7° | 90.0° |
O22 | C21 | N20 | C19 | 179.8° | 90.0° |
O22 | C21 | N16 | C17 | 179.7° | 90.0° |
N16 | C11 | C12 | H5 | 119.4° | 90.0° |
C11 | N16 | C21 | N20 | 179.3° | 90.0° |
C11 | N16 | C21 | C17 | 178.8° | 90.0° |
C11 | N16 | C17 | C18 | 178.8° | 90.0° |
N16 | C11 | C12 | C02 | 165.0° | 90.0° |
N16 | C11 | C12 | N13 | 34.4° | 90.0° |
N16 | C11 | C12 | H6 | 66.1° | 90.0° |
C11 | N16 | C17 | H7 | 1.2° | 90.0° |
C12 | C11 | N16 | C21 | 135.7° | 90.0° |
C12 | C11 | N16 | C17 | 42.9° | 90.0° |
C11 | C12 | C02 | N13 | 162.2° | 90.0° |
C11 | C12 | C02 | H6 | 98.1° | 90.0° |
C11 | C12 | C02 | O01 | 112.0° | 90.0° |
C11 | C12 | N13 | H6 | 100.2° | 90.0° |
C11 | C12 | N13 | N14 | 16.5° | 90.0° |
C11 | C12 | C02 | H1 | 123.9° | 90.0° |
N20 | C21 | N16 | C17 | 0.6° | 90.0° |
C21 | N20 | C19 | N23 | 179.9° | 90.0° |
C21 | N20 | C19 | C18 | 0.1° | 90.0° |
N16 | C21 | N20 | C19 | 0.5° | 90.0° |
C21 | N16 | C17 | C18 | 0.2° | 90.0° |
C21 | N16 | C11 | H5 | 17.4° | 90.0° |
C21 | N16 | C17 | H7 | 179.8° | 90.0° |
N20 | C19 | N23 | C18 | 180.0° | 90.0° |
N20 | C19 | C18 | C17 | 0.3° | 90.0° |
N20 | C19 | C18 | H8 | 179.7° | 90.0° |
N20 | C19 | N23 | H11 | 0.0° | 90.0° |
N20 | C19 | N23 | H12 | 180.0° | 90.0° |
N16 | C17 | C18 | C19 | 0.2° | 90.0° |
N16 | C17 | C18 | H7 | 180.0° | 90.0° |
C17 | N16 | C11 | H5 | 161.3° | 90.0° |
N16 | C17 | C18 | H8 | 179.8° | 90.0° |
N23 | C19 | C18 | C17 | 179.7° | 90.0° |
N23 | C19 | C18 | H8 | 0.3° | 90.0° |
C19 | N23 | H11 | H12 | 180.0° | 90.0° |
C19 | C18 | C17 | H8 | 180.0° | 90.0° |
C19 | C18 | C17 | H7 | 179.8° | 90.0° |
C18 | C19 | N23 | H11 | 180.0° | 90.0° |
C18 | C19 | N23 | H12 | 0.0° | 90.0° |
C12 | C02 | O01 | H1 | 125.5° | 90.0° |
C02 | C12 | N13 | H6 | 100.1° | 90.0° |
C02 | C12 | N13 | N14 | 176.1° | 90.0° |
C12 | C02 | C03 | H2 | 96.9° | 90.0° |
C02 | C12 | C11 | H5 | 75.6° | 90.0° |
C12 | C02 | O01 | H13 | 67.0° | 90.0° |
O01 | C02 | C12 | N13 | 50.2° | 90.0° |
O01 | C02 | C03 | H2 | 22.6° | 90.0° |
O01 | C02 | C12 | H6 | 149.9° | 90.0° |
C12 | N13 | N14 | N15 | 171.8° | 90.0° |
N13 | C12 | C02 | H1 | 73.9° | 90.0° |
N13 | C12 | C11 | H5 | 85.0° | 90.0° |
N14 | N13 | C12 | H6 | 83.8° | 90.0° |
N13 | N14 | N15 | H10 | 180.0° | 90.0° |
H1 | C02 | C03 | H2 | 144.6° | 90.0° |
H1 | C02 | C12 | H6 | 25.8° | 90.0° |
H1 | C02 | O01 | H13 | 58.5° | 90.0° |
H2 | C03 | C04 | H3 | 143.9° | 90.0° |
H2 | C03 | C04 | H4 | 22.6° | 90.0° |
H3 | C04 | O05 | H14 | 60.6° | 90.0° |
H4 | C04 | O05 | H14 | 60.6° | 90.0° |
H5 | C11 | C12 | H6 | 174.5° | 90.0° |
H7 | C17 | C18 | H8 | 0.2° | 90.0° |