DVW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C12 | sing | 0.00Å | 1.53Å | |
C11 | PT | sing | 0.00Å | 2.37Å | |
C12 | PT | sing | 0.00Å | 2.12Å | |
PT | N1 | sing | 0.00Å | 2.05Å | |
PT | N10 | sing | 0.00Å | 2.17Å | |
PT | N3 | sing | 0.00Å | 1.84Å | |
C7 | C6A | doub | 0.00Å | 1.37Å | Aromatic |
C7 | C8 | sing | 0.00Å | 1.36Å | Aromatic |
C6A | C6 | sing | 0.00Å | 1.37Å | Aromatic |
C6A | C10 | sing | 0.00Å | 1.42Å | Aromatic |
C6 | C5 | doub | 0.00Å | 1.37Å | Aromatic |
C5 | C4A | sing | 0.00Å | 1.39Å | Aromatic |
C4A | C4 | doub | 0.00Å | 1.40Å | Aromatic |
C4A | C1A | sing | 0.00Å | 1.41Å | Aromatic |
C4 | C3 | sing | 0.00Å | 1.38Å | Aromatic |
C3 | C2 | doub | 0.00Å | 1.38Å | Aromatic |
C2 | N1 | sing | 0.00Å | 1.41Å | Aromatic |
C2 | C2A | sing | 0.00Å | 1.50Å | |
N1 | C1A | doub | 0.00Å | 1.32Å | Aromatic |
C1A | C10 | sing | 0.00Å | 1.42Å | Aromatic |
C10 | N10 | doub | 0.00Å | 1.44Å | Aromatic |
N10 | C9 | sing | 0.00Å | 1.35Å | Aromatic |
C9 | C8 | doub | 0.00Å | 1.38Å | Aromatic |
C9 | C9A | sing | 0.00Å | 1.46Å | |
CA | CB | doub | 0.00Å | 1.12Å | Aromatic |
CB | C52 | sing | 0.00Å | 1.15Å | |
CM1 | N12 | sing | 0.00Å | 1.47Å | |
N12 | C52 | sing | 0.00Å | 1.36Å | Aromatic |
N12 | C22 | sing | 0.00Å | 1.35Å | Aromatic |
C52 | C42 | doub | 0.00Å | 1.40Å | Aromatic |
C42 | N3 | sing | 0.00Å | 1.32Å | Aromatic |
N3 | C22 | doub | 0.00Å | 1.34Å | Aromatic |
C11 | H1 | sing | 0.00Å | 1.10Å | |
C11 | H2 | sing | 0.00Å | 1.10Å | |
C12 | H3 | sing | 0.00Å | 1.10Å | |
C12 | H4 | sing | 0.00Å | 1.10Å | |
C7 | H5 | sing | 0.00Å | 1.08Å | |
C6 | H6 | sing | 0.00Å | 1.08Å | |
C5 | H7 | sing | 0.00Å | 1.08Å | |
C4 | H8 | sing | 0.00Å | 1.08Å | |
C3 | H9 | sing | 0.00Å | 1.08Å | |
C8 | H10 | sing | 0.00Å | 1.08Å | |
C2A | H11 | sing | 0.00Å | 1.10Å | |
C2A | H12 | sing | 0.00Å | 1.10Å | |
C2A | H13 | sing | 0.00Å | 1.10Å | |
C9A | H14 | sing | 0.00Å | 1.10Å | |
C9A | H15 | sing | 0.00Å | 1.10Å | |
C9A | H16 | sing | 0.00Å | 1.10Å | |
CA | H17 | sing | 0.00Å | 1.08Å | |
CM1 | H20 | sing | 0.00Å | 1.10Å | |
CM1 | H21 | sing | 0.00Å | 1.10Å | |
CM1 | H22 | sing | 0.00Å | 1.10Å | |
C42 | H23 | sing | 0.00Å | 1.08Å | |
C22 | H24 | sing | 0.00Å | 1.08Å | |
CB | N2 | sing | 0.00Å | 95.57Å | Aromatic |
N2 | N4 | doub | 0.00Å | 0.00Å | Aromatic |
N4 | N5 | sing | 0.00Å | 0.00Å | Aromatic |
N5 | CA | sing | 0.00Å | 95.18Å | Aromatic |
N5 | C1 | sing | 0.00Å | 0.00Å | |
C1 | C13 | sing | 0.00Å | 0.00Å | |
C13 | C14 | sing | 0.00Å | 0.00Å | |
C14 | C15 | sing | 0.00Å | 0.00Å | |
C15 | C16 | sing | 0.00Å | 0.00Å | |
C16 | O1 | sing | 0.00Å | 0.00Å | |
O1 | C1 | sing | 0.00Å | 0.00Å | |
C13 | O3 | sing | 0.00Å | 0.00Å | |
C14 | O2 | sing | 0.00Å | 0.00Å | |
C15 | O4 | sing | 0.00Å | 0.00Å | |
C16 | O5 | sing | 0.00Å | 0.00Å | |
C1 | H18 | sing | 0.00Å | 0.00Å | |
C13 | H19 | sing | 0.00Å | 0.00Å | |
C14 | H25 | sing | 0.00Å | 0.00Å | |
C15 | H26 | sing | 0.00Å | 0.00Å | |
C16 | H27 | sing | 0.00Å | 0.00Å | |
O3 | H28 | sing | 0.00Å | 0.00Å | |
O2 | H29 | sing | 0.00Å | 0.00Å | |
O4 | H30 | sing | 0.00Å | 0.00Å | |
O5 | H31 | sing | 0.00Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C11 | PT | 61.4° | 90.0° |
C11 | C12 | PT | 79.4° | 90.0° |
C12 | C11 | H1 | 119.8° | 90.0° |
C12 | C11 | H2 | 119.7° | 90.0° |
C11 | C12 | H3 | 116.4° | 90.0° |
C11 | C12 | H4 | 116.4° | 90.0° |
C11 | PT | C12 | 39.2° | 90.0° |
C11 | PT | N1 | 167.3° | 90.0° |
C11 | PT | N10 | 98.9° | 90.0° |
C11 | PT | N3 | 95.9° | 90.0° |
PT | C11 | H1 | 119.8° | 90.0° |
PT | C11 | H2 | 119.8° | 90.0° |
C12 | PT | N1 | 128.1° | 90.0° |
C12 | PT | N10 | 137.6° | 90.0° |
C12 | PT | N3 | 93.7° | 90.0° |
PT | C12 | H3 | 116.4° | 90.0° |
PT | C12 | H4 | 116.4° | 90.0° |
N1 | PT | N10 | 93.7° | 90.0° |
N1 | PT | N3 | 83.9° | 90.0° |
PT | N1 | C2 | 134.6° | 90.0° |
PT | N1 | C1A | 100.7° | 90.0° |
N10 | PT | N3 | 83.3° | 90.0° |
PT | N10 | C10 | 91.3° | 90.0° |
PT | N10 | C9 | 152.4° | 90.0° |
PT | N3 | C42 | 126.8° | 90.0° |
PT | N3 | C22 | 117.7° | 90.0° |
C6A | C7 | C8 | 119.3° | 90.0° |
C7 | C6A | C6 | 111.4° | 90.0° |
C7 | C6A | C10 | 122.3° | 90.0° |
C6A | C7 | H5 | 120.4° | 90.0° |
C7 | C8 | C9 | 119.3° | 90.0° |
C8 | C7 | H5 | 120.4° | 90.0° |
C7 | C8 | H10 | 120.3° | 90.0° |
C6 | C6A | C10 | 126.3° | 90.0° |
C6A | C6 | C5 | 119.7° | 90.0° |
C6A | C6 | H6 | 120.2° | 90.0° |
C6A | C10 | C1A | 112.2° | 90.0° |
C6A | C10 | N10 | 117.6° | 90.0° |
C6 | C5 | C4A | 118.2° | 90.0° |
C5 | C6 | H6 | 120.1° | 90.0° |
C6 | C5 | H7 | 120.9° | 90.0° |
C5 | C4A | C4 | 114.4° | 90.0° |
C5 | C4A | C1A | 121.5° | 90.0° |
C4A | C5 | H7 | 120.9° | 90.0° |
C4 | C4A | C1A | 124.1° | 90.0° |
C4A | C4 | C3 | 119.6° | 90.0° |
C4A | C4 | H8 | 120.2° | 90.0° |
C4A | C1A | N1 | 114.1° | 90.0° |
C4A | C1A | C10 | 122.1° | 90.0° |
C4 | C3 | C2 | 116.5° | 90.0° |
C3 | C4 | H8 | 120.2° | 90.0° |
C4 | C3 | H9 | 121.7° | 90.0° |
C3 | C2 | N1 | 121.5° | 90.0° |
C3 | C2 | C2A | 118.8° | 90.0° |
C2 | C3 | H9 | 121.7° | 90.0° |
N1 | C2 | C2A | 119.6° | 90.0° |
C2 | N1 | C1A | 124.0° | 90.0° |
C2 | C2A | H11 | 109.5° | 90.0° |
C2 | C2A | H12 | 109.4° | 90.0° |
C2 | C2A | H13 | 109.4° | 90.0° |
N1 | C1A | C10 | 123.7° | 90.0° |
C1A | C10 | N10 | 130.0° | 90.0° |
C10 | N10 | C9 | 116.2° | 90.0° |
N10 | C9 | C8 | 124.8° | 90.0° |
N10 | C9 | C9A | 124.5° | 90.0° |
C8 | C9 | C9A | 110.6° | 90.0° |
C9 | C8 | H10 | 120.3° | 90.0° |
C9 | C9A | H14 | 109.5° | 90.0° |
C9 | C9A | H15 | 109.5° | 90.0° |
C9 | C9A | H16 | 109.5° | 90.0° |
CA | CB | C52 | 126.1° | 90.0° |
CB | CA | H17 | 124.8° | 90.0° |
CA | CB | N2 | 68.9° | 90.0° |
CB | CA | N5 | 110.5° | 90.0° |
CB | C52 | N12 | 133.1° | 90.0° |
CB | C52 | C42 | 121.7° | 90.0° |
C52 | CB | N2 | 60.5° | 90.0° |
CM1 | N12 | C52 | 129.4° | 90.0° |
CM1 | N12 | C22 | 121.2° | 90.0° |
N12 | CM1 | H20 | 109.5° | 90.0° |
N12 | CM1 | H21 | 109.5° | 90.0° |
N12 | CM1 | H22 | 109.5° | 90.0° |
C52 | N12 | C22 | 109.4° | 90.0° |
N12 | C52 | C42 | 104.9° | 90.0° |
N12 | C22 | N3 | 107.8° | 90.0° |
N12 | C22 | H24 | 126.1° | 90.0° |
C52 | C42 | N3 | 109.0° | 90.0° |
C52 | C42 | H23 | 125.5° | 90.0° |
C42 | N3 | C22 | 108.8° | 90.0° |
N3 | C42 | H23 | 125.5° | 90.0° |
N3 | C22 | H24 | 126.1° | 90.0° |
H1 | C11 | H2 | 109.5° | 90.0° |
H3 | C12 | H4 | 109.5° | 90.0° |
H11 | C2A | H12 | 109.5° | 90.0° |
H11 | C2A | H13 | 109.5° | 90.0° |
H12 | C2A | H13 | 109.5° | 90.0° |
H14 | C9A | H15 | 109.5° | 90.0° |
H14 | C9A | H16 | 109.4° | 90.0° |
H15 | C9A | H16 | 109.5° | 90.0° |
H17 | CA | N5 | 124.7° | 90.0° |
H20 | CM1 | H21 | 109.4° | 90.0° |
H20 | CM1 | H22 | 109.5° | 90.0° |
H21 | CM1 | H22 | 109.5° | 90.0° |
CB | N2 | N4 | 90.0° | 90.0° |
N2 | N4 | N5 | 90.0° | 90.0° |
N4 | N5 | CA | 90.0° | 90.0° |
N4 | N5 | C1 | 90.0° | 90.0° |
CA | N5 | C1 | 90.0° | 90.0° |
N5 | C1 | C13 | 90.0° | 90.0° |
N5 | C1 | O1 | 90.0° | 90.0° |
N5 | C1 | H18 | 90.0° | 90.0° |
C1 | C13 | C14 | 90.0° | 90.0° |
C13 | C1 | O1 | 90.0° | 90.0° |
C1 | C13 | O3 | 90.0° | 90.0° |
C13 | C1 | H18 | 90.0° | 90.0° |
C1 | C13 | H19 | 90.0° | 90.0° |
C13 | C14 | C15 | 90.0° | 90.0° |
C14 | C13 | O3 | 90.0° | 90.0° |
C13 | C14 | O2 | 90.0° | 90.0° |
C14 | C13 | H19 | 90.0° | 90.0° |
C13 | C14 | H25 | 90.0° | 90.0° |
C14 | C15 | C16 | 90.0° | 90.0° |
C15 | C14 | O2 | 90.0° | 90.0° |
C14 | C15 | O4 | 90.0° | 90.0° |
C15 | C14 | H25 | 90.0° | 90.0° |
C14 | C15 | H26 | 90.0° | 90.0° |
C15 | C16 | O1 | 90.0° | 90.0° |
C16 | C15 | O4 | 90.0° | 90.0° |
C15 | C16 | O5 | 90.0° | 90.0° |
C16 | C15 | H26 | 90.0° | 90.0° |
C15 | C16 | H27 | 90.0° | 90.0° |
C16 | O1 | C1 | 90.0° | 90.0° |
O1 | C16 | O5 | 90.0° | 90.0° |
O1 | C16 | H27 | 90.0° | 90.0° |
O1 | C1 | H18 | 90.0° | 90.0° |
O3 | C13 | H19 | 90.0° | 90.0° |
C13 | O3 | H28 | 90.0° | 90.0° |
O2 | C14 | H25 | 90.0° | 90.0° |
C14 | O2 | H29 | 90.0° | 90.0° |
O4 | C15 | H26 | 90.0° | 90.0° |
C15 | O4 | H30 | 90.0° | 90.0° |
O5 | C16 | H27 | 90.0° | 90.0° |
C16 | O5 | H31 | 90.0° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C11 | PT | H1 | 109.9° | 90.0° |
C12 | C11 | PT | H2 | 109.8° | 90.0° |
C11 | C12 | PT | H3 | 114.3° | 90.0° |
C11 | C12 | PT | H4 | 114.3° | 90.0° |
C12 | C11 | PT | N1 | 0.2° | 90.0° |
C12 | C11 | PT | N10 | 172.7° | 90.0° |
C12 | C11 | PT | N3 | 88.7° | 90.0° |
C12 | C11 | H1 | H2 | 143.9° | 90.0° |
C11 | C12 | H3 | H4 | 134.5° | 90.0° |
C11 | PT | N1 | N10 | 172.6° | 90.0° |
C11 | PT | N1 | N3 | 89.8° | 90.0° |
C11 | PT | N10 | N3 | 94.9° | 90.0° |
C11 | PT | N1 | C2 | 11.3° | 90.0° |
C11 | PT | N1 | C1A | 178.5° | 90.0° |
C11 | PT | N10 | C10 | 178.7° | 90.0° |
C11 | PT | N10 | C9 | 5.3° | 90.0° |
C11 | PT | N3 | C42 | 5.3° | 90.0° |
C11 | PT | N3 | C22 | 142.6° | 90.0° |
PT | C11 | H1 | H2 | 143.9° | 90.0° |
C12 | PT | N1 | N10 | 172.8° | 90.0° |
C12 | PT | N1 | N3 | 90.0° | 90.0° |
C12 | PT | N10 | N3 | 88.1° | 90.0° |
C12 | PT | N1 | C2 | 11.1° | 90.0° |
C12 | PT | N1 | C1A | 178.6° | 90.0° |
C12 | PT | N10 | C10 | 174.5° | 90.0° |
C12 | PT | N10 | C9 | 1.5° | 90.0° |
C12 | PT | N3 | C42 | 44.6° | 90.0° |
C12 | PT | N3 | C22 | 103.3° | 90.0° |
PT | C12 | H3 | H4 | 134.5° | 90.0° |
N1 | PT | N10 | N3 | 83.4° | 90.0° |
PT | N1 | C1A | C4A | 174.8° | 90.0° |
PT | N1 | C2 | C3 | 172.2° | 90.0° |
PT | N1 | C2 | C1A | 168.4° | 90.0° |
PT | N1 | C2 | C2A | 9.9° | 90.0° |
PT | N1 | C1A | C10 | 7.8° | 90.0° |
N1 | PT | N10 | C10 | 2.9° | 90.0° |
N1 | PT | N10 | C9 | 173.1° | 90.0° |
N1 | PT | N3 | C42 | 172.5° | 90.0° |
N1 | PT | N3 | C22 | 24.6° | 90.0° |
N1 | PT | C11 | H1 | 109.7° | 90.0° |
N1 | PT | C11 | H2 | 110.0° | 90.0° |
N1 | PT | C12 | H3 | 65.8° | 90.0° |
N1 | PT | C12 | H4 | 65.6° | 90.0° |
PT | N10 | C10 | C6A | 174.6° | 90.0° |
N10 | PT | N1 | C2 | 176.1° | 90.0° |
N10 | PT | N1 | C1A | 5.8° | 90.0° |
PT | N10 | C10 | C1A | 0.6° | 90.0° |
PT | N10 | C10 | C9 | 177.9° | 90.0° |
PT | N10 | C9 | C8 | 176.3° | 90.0° |
PT | N10 | C9 | C9A | 0.3° | 90.0° |
N10 | PT | N3 | C42 | 93.0° | 90.0° |
N10 | PT | N3 | C22 | 119.1° | 90.0° |
N10 | PT | C11 | H1 | 62.8° | 90.0° |
N10 | PT | C11 | H2 | 77.4° | 90.0° |
N10 | PT | C12 | H3 | 125.0° | 90.0° |
N10 | PT | C12 | H4 | 103.6° | 90.0° |
N3 | PT | N1 | C2 | 101.1° | 90.0° |
N3 | PT | N1 | C1A | 88.7° | 90.0° |
N3 | PT | N10 | C10 | 86.3° | 90.0° |
N3 | PT | N10 | C9 | 89.7° | 90.0° |
PT | N3 | C22 | N12 | 152.8° | 90.0° |
PT | N3 | C42 | C52 | 151.2° | 90.0° |
PT | N3 | C42 | C22 | 150.2° | 90.0° |
N3 | PT | C11 | H1 | 21.2° | 90.0° |
N3 | PT | C11 | H2 | 161.5° | 90.0° |
N3 | PT | C12 | H3 | 150.9° | 90.0° |
N3 | PT | C12 | H4 | 19.5° | 90.0° |
PT | N3 | C42 | H23 | 28.8° | 90.0° |
PT | N3 | C22 | H24 | 27.2° | 90.0° |
C6A | C7 | C8 | H5 | 180.0° | 90.0° |
C7 | C6A | C6 | C10 | 179.4° | 90.0° |
C7 | C6A | C6 | C5 | 179.1° | 90.0° |
C7 | C6A | C10 | C1A | 178.7° | 90.0° |
C7 | C6A | C10 | N10 | 3.7° | 90.0° |
C6A | C7 | C8 | C9 | 0.2° | 90.0° |
C7 | C6A | C6 | H6 | 0.9° | 90.0° |
C6A | C7 | C8 | H10 | 179.8° | 90.0° |
C8 | C7 | C6A | C6 | 179.2° | 90.0° |
C8 | C7 | C6A | C10 | 0.2° | 90.0° |
C7 | C8 | C9 | N10 | 4.3° | 90.0° |
C7 | C8 | C9 | H10 | 180.0° | 90.0° |
C7 | C8 | C9 | C9A | 179.2° | 90.0° |
C6A | C6 | C5 | H6 | 180.0° | 90.0° |
C6A | C6 | C5 | C4A | 0.9° | 90.0° |
C6 | C6A | C10 | C1A | 2.0° | 90.0° |
C6 | C6A | C10 | N10 | 177.0° | 90.0° |
C6 | C6A | C7 | H5 | 0.9° | 90.0° |
C6A | C6 | C5 | H7 | 179.1° | 90.0° |
C10 | C6A | C6 | C5 | 1.6° | 90.0° |
C6A | C10 | C1A | C4A | 1.8° | 90.0° |
C6A | C10 | C1A | N1 | 179.1° | 90.0° |
C6A | C10 | C1A | N10 | 174.3° | 90.0° |
C6A | C10 | N10 | C9 | 7.5° | 90.0° |
C10 | C6A | C7 | H5 | 179.7° | 90.0° |
C10 | C6A | C6 | H6 | 178.4° | 90.0° |
C6 | C5 | C4A | H7 | 180.0° | 90.0° |
C6 | C5 | C4A | C4 | 179.2° | 90.0° |
C6 | C5 | C4A | C1A | 0.9° | 90.0° |
C5 | C4A | C4 | C1A | 179.9° | 90.0° |
C5 | C4A | C4 | C3 | 179.7° | 90.0° |
C5 | C4A | C1A | N1 | 178.9° | 90.0° |
C5 | C4A | C1A | C10 | 1.4° | 90.0° |
C4A | C5 | C6 | H6 | 179.1° | 90.0° |
C5 | C4A | C4 | H8 | 0.2° | 90.0° |
C4A | C4 | C3 | H8 | 180.0° | 90.0° |
C4A | C4 | C3 | C2 | 0.3° | 90.0° |
C4 | C4A | C1A | N1 | 1.2° | 90.0° |
C4 | C4A | C1A | C10 | 178.7° | 90.0° |
C4 | C4A | C5 | H7 | 0.8° | 90.0° |
C4A | C4 | C3 | H9 | 179.7° | 90.0° |
C1A | C4A | C4 | C3 | 0.2° | 90.0° |
C4A | C1A | N1 | C2 | 3.1° | 90.0° |
C4A | C1A | N1 | C10 | 177.4° | 90.0° |
C4A | C1A | C10 | N10 | 176.1° | 90.0° |
C1A | C4A | C5 | H7 | 179.1° | 90.0° |
C1A | C4A | C4 | H8 | 179.9° | 90.0° |
C4 | C3 | C2 | H9 | 180.0° | 90.0° |
C4 | C3 | C2 | N1 | 2.1° | 90.0° |
C4 | C3 | C2 | C2A | 180.0° | 90.0° |
C3 | C2 | N1 | C2A | 177.9° | 90.0° |
C3 | C2 | N1 | C1A | 3.8° | 90.0° |
C2 | C3 | C4 | H8 | 179.7° | 90.0° |
C3 | C2 | C2A | H11 | 180.0° | 90.0° |
C3 | C2 | C2A | H12 | 60.0° | 90.0° |
C3 | C2 | C2A | H13 | 60.0° | 90.0° |
C2 | N1 | C1A | C10 | 179.4° | 90.0° |
N1 | C2 | C3 | H9 | 177.9° | 90.0° |
N1 | C2 | C2A | H11 | 2.0° | 90.0° |
N1 | C2 | C2A | H12 | 118.0° | 90.0° |
N1 | C2 | C2A | H13 | 122.0° | 90.0° |
C2A | C2 | N1 | C1A | 178.3° | 90.0° |
C2A | C2 | C3 | H9 | 0.0° | 90.0° |
C2 | C2A | H11 | H12 | 120.0° | 90.0° |
C2 | C2A | H11 | H13 | 120.0° | 90.0° |
C2 | C2A | H12 | H13 | 120.0° | 90.0° |
N1 | C1A | C10 | N10 | 6.7° | 90.0° |
C1A | C10 | N10 | C9 | 178.5° | 90.0° |
C10 | N10 | C9 | C8 | 8.1° | 90.0° |
C10 | N10 | C9 | C9A | 175.9° | 90.0° |
N10 | C9 | C8 | C9A | 176.5° | 90.0° |
N10 | C9 | C8 | H10 | 175.7° | 90.0° |
N10 | C9 | C9A | H14 | 180.0° | 90.0° |
N10 | C9 | C9A | H15 | 60.0° | 90.0° |
N10 | C9 | C9A | H16 | 60.0° | 90.0° |
C9 | C8 | C7 | H5 | 179.8° | 90.0° |
C8 | C9 | C9A | H14 | 3.5° | 90.0° |
C8 | C9 | C9A | H15 | 123.5° | 90.0° |
C8 | C9 | C9A | H16 | 116.5° | 90.0° |
C9A | C9 | C8 | H10 | 0.8° | 90.0° |
C9 | C9A | H14 | H15 | 120.0° | 90.0° |
C9 | C9A | H14 | H16 | 120.0° | 90.0° |
C9 | C9A | H15 | H16 | 120.0° | 90.0° |
CA | CB | C52 | N2 | 22.3° | 90.0° |
CA | CB | C52 | N12 | 54.1° | 90.0° |
CA | CB | C52 | C42 | 132.9° | 90.0° |
CB | CA | H17 | N5 | 180.0° | 90.0° |
CA | CB | N2 | N4 | 90.0° | 90.0° |
CB | CA | N5 | N4 | 90.0° | 90.0° |
CB | CA | N5 | C1 | 90.0° | 90.0° |
CB | C52 | N12 | CM1 | 5.8° | 90.0° |
CB | C52 | N12 | C42 | 173.9° | 90.0° |
CB | C52 | N12 | C22 | 176.3° | 90.0° |
CB | C52 | C42 | N3 | 176.8° | 90.0° |
C52 | CB | CA | H17 | 159.3° | 90.0° |
CB | C52 | C42 | H23 | 3.1° | 90.0° |
C52 | CB | N2 | N4 | 90.0° | 90.0° |
C52 | CB | CA | N5 | 20.7° | 90.0° |
CM1 | N12 | C52 | C22 | 177.9° | 90.0° |
CM1 | N12 | C52 | C42 | 179.6° | 90.0° |
CM1 | N12 | C22 | N3 | 180.0° | 90.0° |
N12 | CM1 | H20 | H21 | 120.0° | 90.0° |
N12 | CM1 | H20 | H22 | 120.0° | 90.0° |
N12 | CM1 | H21 | H22 | 120.0° | 90.0° |
CM1 | N12 | C22 | H24 | 0.0° | 90.0° |
N12 | C52 | C42 | N3 | 2.1° | 90.0° |
C52 | N12 | C22 | N3 | 1.9° | 90.0° |
C52 | N12 | CM1 | H20 | 180.0° | 90.0° |
C52 | N12 | CM1 | H21 | 60.0° | 90.0° |
C52 | N12 | CM1 | H22 | 60.0° | 90.0° |
N12 | C52 | C42 | H23 | 177.9° | 90.0° |
C52 | N12 | C22 | H24 | 178.1° | 90.0° |
N12 | C52 | CB | N2 | 31.8° | 90.0° |
C22 | N12 | C52 | C42 | 2.4° | 90.0° |
N12 | C22 | N3 | C42 | 0.5° | 90.0° |
N12 | C22 | N3 | H24 | 180.0° | 90.0° |
C22 | N12 | CM1 | H20 | 2.3° | 90.0° |
C22 | N12 | CM1 | H21 | 122.3° | 90.0° |
C22 | N12 | CM1 | H22 | 117.8° | 90.0° |
C52 | C42 | N3 | H23 | 180.0° | 90.0° |
C52 | C42 | N3 | C22 | 1.0° | 90.0° |
C42 | C52 | CB | N2 | 155.2° | 90.0° |
C42 | N3 | C22 | H24 | 179.5° | 90.0° |
C22 | N3 | C42 | H23 | 179.0° | 90.0° |
H1 | C11 | C12 | H3 | 135.8° | 90.0° |
H1 | C11 | C12 | H4 | 4.4° | 90.0° |
H2 | C11 | C12 | H3 | 4.4° | 90.0° |
H2 | C11 | C12 | H4 | 135.8° | 90.0° |
H5 | C7 | C8 | H10 | 0.3° | 90.0° |
H6 | C6 | C5 | H7 | 0.9° | 90.0° |
H8 | C4 | C3 | H9 | 0.3° | 90.0° |
H11 | C2A | H12 | H13 | 120.0° | 90.0° |
H14 | C9A | H15 | H16 | 120.0° | 90.0° |
H17 | CA | CB | N2 | 180.0° | 90.0° |
H17 | CA | N5 | N4 | 90.0° | 90.0° |
H17 | CA | N5 | C1 | 90.0° | 90.0° |
H20 | CM1 | H21 | H22 | 120.0° | 90.0° |
CB | N2 | N4 | N5 | 90.0° | 90.0° |
N2 | CB | CA | N5 | NaN° | 90.0° |
N2 | N4 | N5 | CA | 90.0° | 90.0° |
N2 | N4 | N5 | C1 | 90.0° | 90.0° |
N4 | N5 | CA | C1 | 90.0° | 90.0° |
N4 | N5 | C1 | C13 | 90.0° | 90.0° |
N4 | N5 | C1 | O1 | 90.0° | 90.0° |
N4 | N5 | C1 | H18 | 90.0° | 90.0° |
CA | N5 | C1 | C13 | 90.0° | 90.0° |
CA | N5 | C1 | O1 | 90.0° | 90.0° |
CA | N5 | C1 | H18 | 90.0° | 90.0° |
N5 | C1 | C13 | O1 | 90.0° | 90.0° |
N5 | C1 | C13 | H18 | 90.0° | 90.0° |
N5 | C1 | C13 | C14 | 90.0° | 90.0° |
N5 | C1 | O1 | C16 | 90.0° | 90.0° |
N5 | C1 | O1 | H18 | 90.0° | 90.0° |
N5 | C1 | C13 | O3 | 90.0° | 90.0° |
N5 | C1 | C13 | H19 | 90.0° | 90.0° |
C1 | C13 | C14 | O3 | 90.0° | 90.0° |
C1 | C13 | C14 | H19 | 90.0° | 90.0° |
C1 | C13 | C14 | C15 | 90.0° | 90.0° |
C13 | C1 | O1 | C16 | 90.0° | 90.0° |
C13 | C1 | O1 | H18 | 90.0° | 90.0° |
C1 | C13 | O3 | H19 | 90.0° | 90.0° |
C1 | C13 | C14 | O2 | 90.0° | 90.0° |
C1 | C13 | C14 | H25 | 90.0° | 90.0° |
C1 | C13 | O3 | H28 | 90.0° | 90.0° |
C13 | C14 | C15 | O2 | 90.0° | 90.0° |
C13 | C14 | C15 | H25 | 90.0° | 90.0° |
C13 | C14 | C15 | C16 | 90.0° | 90.0° |
C14 | C13 | C1 | O1 | 90.0° | 90.0° |
C14 | C13 | O3 | H19 | 90.0° | 90.0° |
C13 | C14 | O2 | H25 | 90.0° | 90.0° |
C13 | C14 | C15 | O4 | 90.0° | 90.0° |
C14 | C13 | C1 | H18 | 90.0° | 90.0° |
C13 | C14 | C15 | H26 | 90.0° | 90.0° |
C14 | C13 | O3 | H28 | 90.0° | 90.0° |
C13 | C14 | O2 | H29 | 90.0° | 90.0° |
C14 | C15 | C16 | O4 | 90.0° | 90.0° |
C14 | C15 | C16 | H26 | 90.0° | 90.0° |
C14 | C15 | C16 | O1 | 90.0° | 90.0° |
C15 | C14 | C13 | O3 | 90.0° | 90.0° |
C15 | C14 | O2 | H25 | 90.0° | 90.0° |
C14 | C15 | O4 | H26 | 90.0° | 90.0° |
C14 | C15 | C16 | O5 | 90.0° | 90.0° |
C15 | C14 | C13 | H19 | 90.0° | 90.0° |
C14 | C15 | C16 | H27 | 90.0° | 90.0° |
C15 | C14 | O2 | H29 | 90.0° | 90.0° |
C14 | C15 | O4 | H30 | 90.0° | 90.0° |
C15 | C16 | O1 | O5 | 90.0° | 90.0° |
C15 | C16 | O1 | H27 | 90.0° | 90.0° |
C15 | C16 | O1 | C1 | 90.0° | 90.0° |
C16 | C15 | C14 | O2 | 90.0° | 90.0° |
C16 | C15 | O4 | H26 | 90.0° | 90.0° |
C15 | C16 | O5 | H27 | 90.0° | 90.0° |
C16 | C15 | C14 | H25 | 90.0° | 90.0° |
C16 | C15 | O4 | H30 | 90.0° | 90.0° |
C15 | C16 | O5 | H31 | 90.0° | 90.0° |
O1 | C16 | C15 | O4 | 90.0° | 90.0° |
O1 | C16 | O5 | H27 | 90.0° | 90.0° |
C16 | O1 | C1 | H18 | 90.0° | 90.0° |
O1 | C16 | C15 | H26 | 90.0° | 90.0° |
O1 | C16 | O5 | H31 | 90.0° | 90.0° |
O1 | C1 | C13 | O3 | 90.0° | 90.0° |
C1 | O1 | C16 | O5 | 90.0° | 90.0° |
O1 | C1 | C13 | H19 | 90.0° | 90.0° |
C1 | O1 | C16 | H27 | 90.0° | 90.0° |
O3 | C13 | C14 | O2 | 90.0° | 90.0° |
O3 | C13 | C1 | H18 | 90.0° | 90.0° |
O3 | C13 | C14 | H25 | 90.0° | 90.0° |
O2 | C14 | C15 | O4 | 90.0° | 90.0° |
O2 | C14 | C13 | H19 | 90.0° | 90.0° |
O2 | C14 | C15 | H26 | 90.0° | 90.0° |
O4 | C15 | C16 | O5 | 90.0° | 90.0° |
O4 | C15 | C14 | H25 | 90.0° | 90.0° |
O4 | C15 | C16 | H27 | 90.0° | 90.0° |
O5 | C16 | C15 | H26 | 90.0° | 90.0° |
H18 | C1 | C13 | H19 | 90.0° | 90.0° |
H19 | C13 | C14 | H25 | 90.0° | 90.0° |
H19 | C13 | O3 | H28 | 90.0° | 90.0° |
H25 | C14 | C15 | H26 | 90.0° | 90.0° |
H25 | C14 | O2 | H29 | 90.0° | 90.0° |
H26 | C15 | C16 | H27 | 90.0° | 90.0° |
H26 | C15 | O4 | H30 | 90.0° | 90.0° |
H27 | C16 | O5 | H31 | 90.0° | 90.0° |