A1C2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | N15 | sing | 1.34Å | 1.33Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | N22 | sing | 1.47Å | 1.47Å | |
| O1 | P2 | doub | 1.48Å | 1.47Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| N22 | P2 | sing | 1.70Å | 1.63Å | |
| N22 | C30 | sing | 1.49Å | 1.48Å | |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| P2 | O36 | sing | 1.63Å | 1.60Å | |
| P2 | N3 | sing | 1.68Å | 1.60Å | |
| C30 | C35 | sing | 1.54Å | 1.55Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C35 | O36 | sing | 1.45Å | 1.44Å | |
| O34 | C31 | doub | 1.21Å | 1.20Å | |
| C31 | O32 | sing | 1.34Å | 1.35Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| N10 | C9 | sing | 1.35Å | 1.34Å | |
| C4 | C9 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C11 | C19 | sing | 1.53Å | 1.52Å | |
| C9 | O21 | doub | 1.21Å | 1.23Å | |
| O32 | C33 | sing | 1.45Å | 1.45Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 1.01Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| N15 | H36 | sing | 0.97Å | 1.00Å | |
| O20 | H37 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 35.25Å | |
| S1 | O7 | sing | 1.52Å | 0.00Å | |
| S1 | O8 | doub | 1.42Å | 0.00Å | |
| S1 | O9 | doub | 1.42Å | 0.00Å | |
| O7 | H21 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | N15 | 125.4° | 124.9° |
| O18 | C14 | C13 | 126.0° | 124.9° |
| C26 | C25 | C24 | 120.8° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | H24 | 119.6° | 120.0° |
| C25 | C26 | H25 | 119.9° | 120.0° |
| C25 | C24 | C23 | 120.6° | 120.0° |
| C25 | C24 | C29 | 118.3° | 120.0° |
| C24 | C25 | H24 | 119.6° | 120.0° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C27 | C26 | H25 | 119.9° | 120.0° |
| C26 | C27 | H26 | 120.1° | 120.0° |
| N15 | C14 | C13 | 108.5° | 110.1° |
| C14 | N15 | C16 | 114.1° | 111.3° |
| C14 | N15 | H36 | 122.9° | 124.3° |
| C14 | C13 | C12 | 112.4° | 110.5° |
| C14 | C13 | C17 | 103.2° | 104.2° |
| C14 | C13 | H4 | 108.8° | 110.6° |
| C24 | C23 | N22 | 113.0° | 109.5° |
| C23 | C24 | C29 | 121.1° | 120.0° |
| C24 | C23 | H22 | 108.6° | 109.5° |
| C24 | C23 | H23 | 108.6° | 109.4° |
| C23 | N22 | P2 | 118.1° | 111.0° |
| C23 | N22 | C30 | 121.4° | 111.0° |
| N22 | C23 | H22 | 108.6° | 109.5° |
| N22 | C23 | H23 | 108.6° | 109.5° |
| O1 | P2 | N22 | 120.2° | 110.7° |
| O1 | P2 | O36 | 115.5° | 110.7° |
| O1 | P2 | N3 | 108.6° | 110.6° |
| C24 | C29 | C28 | 120.8° | 120.0° |
| C24 | C29 | H28 | 119.6° | 120.0° |
| N15 | C16 | C17 | 102.5° | 105.5° |
| N15 | C16 | H16 | 111.2° | 110.3° |
| N15 | C16 | H17 | 111.2° | 110.3° |
| C16 | N15 | H36 | 122.9° | 124.4° |
| C27 | C28 | C29 | 120.2° | 119.9° |
| C28 | C27 | H26 | 120.1° | 120.0° |
| C27 | C28 | H27 | 119.9° | 120.0° |
| P2 | N22 | C30 | 113.9° | 102.8° |
| N22 | P2 | O36 | 95.7° | 103.0° |
| N22 | P2 | N3 | 108.8° | 110.8° |
| N22 | C30 | C35 | 103.8° | 106.6° |
| N22 | C30 | C31 | 119.6° | 110.0° |
| N22 | C30 | H29 | 106.9° | 110.1° |
| C29 | C28 | H27 | 119.9° | 120.0° |
| C28 | C29 | H28 | 119.6° | 120.0° |
| C12 | C13 | C17 | 115.2° | 110.5° |
| C13 | C12 | C11 | 112.9° | 109.4° |
| C13 | C12 | H2 | 108.6° | 109.5° |
| C13 | C12 | H3 | 108.6° | 109.4° |
| C12 | C13 | H4 | 108.5° | 110.5° |
| C13 | C17 | C16 | 104.2° | 101.7° |
| C17 | C13 | H4 | 108.5° | 110.5° |
| C13 | C17 | H18 | 110.8° | 111.0° |
| C13 | C17 | H19 | 110.8° | 111.0° |
| O36 | P2 | N3 | 106.8° | 110.8° |
| P2 | O36 | C35 | 111.9° | 102.8° |
| P2 | N3 | C4 | 122.8° | 111.0° |
| P2 | N3 | H15 | 106.0° | 111.0° |
| C35 | C30 | C31 | 113.2° | 110.0° |
| C30 | C35 | O36 | 108.9° | 107.0° |
| C35 | C30 | H29 | 106.3° | 110.0° |
| C30 | C35 | H33 | 109.6° | 109.9° |
| C30 | C35 | H34 | 109.6° | 109.9° |
| C30 | C31 | O34 | 121.0° | 120.0° |
| C30 | C31 | O32 | 116.6° | 120.0° |
| C31 | C30 | H29 | 106.3° | 110.0° |
| C17 | C16 | H16 | 111.2° | 110.2° |
| C17 | C16 | H17 | 111.2° | 110.2° |
| C16 | C17 | H18 | 110.8° | 111.0° |
| C16 | C17 | H19 | 110.8° | 111.0° |
| C7 | C6 | C5 | 110.7° | 109.4° |
| C7 | C6 | C8 | 109.9° | 109.5° |
| C7 | C6 | H8 | 109.2° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.4° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C12 | C11 | N10 | 110.2° | 109.5° |
| C12 | C11 | C19 | 111.8° | 109.4° |
| C12 | C11 | H1 | 108.2° | 109.5° |
| C11 | C12 | H2 | 108.6° | 109.5° |
| C11 | C12 | H3 | 108.6° | 109.5° |
| O36 | C35 | H33 | 109.6° | 109.9° |
| O36 | C35 | H34 | 109.6° | 109.9° |
| O34 | C31 | O32 | 122.5° | 120.0° |
| C31 | O32 | C33 | 119.6° | 117.0° |
| N3 | C4 | C9 | 107.3° | 109.5° |
| N3 | C4 | C5 | 110.3° | 109.4° |
| N3 | C4 | H5 | 109.7° | 109.4° |
| C4 | N3 | H15 | 106.0° | 111.0° |
| C11 | N10 | C9 | 122.7° | 120.0° |
| N10 | C11 | C19 | 109.1° | 109.4° |
| N10 | C11 | H1 | 109.1° | 109.5° |
| C11 | N10 | H35 | 118.7° | 120.0° |
| N10 | C9 | C4 | 116.0° | 120.0° |
| N10 | C9 | O21 | 122.9° | 120.0° |
| C9 | N10 | H35 | 118.6° | 120.0° |
| C9 | C4 | C5 | 111.5° | 109.5° |
| C4 | C9 | O21 | 121.0° | 120.0° |
| C9 | C4 | H5 | 109.0° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C5 | C4 | H5 | 108.9° | 109.5° |
| C4 | C5 | H6 | 108.2° | 109.5° |
| C4 | C5 | H7 | 108.2° | 109.4° |
| C5 | C6 | C8 | 109.5° | 109.5° |
| C6 | C5 | H6 | 108.2° | 109.5° |
| C6 | C5 | H7 | 108.2° | 109.5° |
| C5 | C6 | H8 | 108.9° | 109.5° |
| C8 | C6 | H8 | 108.6° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| C11 | C19 | O20 | 110.8° | 109.5° |
| C19 | C11 | H1 | 108.4° | 109.5° |
| C11 | C19 | H20 | 123.2° | 109.5° |
| C11 | C19 | S1 | 93.5° | 109.5° |
| O32 | C33 | H30 | 109.5° | 109.5° |
| O32 | C33 | H31 | 109.5° | 109.5° |
| O32 | C33 | H32 | 109.5° | 109.5° |
| O20 | C19 | H20 | 125.9° | 109.5° |
| C19 | O20 | H37 | 109.5° | 114.0° |
| O20 | C19 | S1 | 81.2° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 110.2° |
| H18 | C17 | H19 | 109.5° | 110.9° |
| H20 | C19 | S1 | 91.3° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.5° |
| H30 | C33 | H32 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.4° |
| H33 | C35 | H34 | 109.4° | 110.0° |
| C19 | S1 | O7 | 90.0° | 104.5° |
| C19 | S1 | O8 | 90.0° | 110.5° |
| C19 | S1 | O9 | 90.0° | 110.5° |
| O7 | S1 | O8 | 90.0° | 104.3° |
| O7 | S1 | O9 | 90.0° | 104.3° |
| S1 | O7 | H21 | 90.0° | 114.0° |
| O8 | S1 | O9 | 90.0° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 178.1° | 179.9° |
| O18 | C14 | N15 | C16 | 174.6° | 179.6° |
| O18 | C14 | C13 | C12 | 43.2° | 45.1° |
| O18 | C14 | C13 | C17 | 168.0° | 163.8° |
| O18 | C14 | C13 | H4 | 77.0° | 77.5° |
| O18 | C14 | N15 | H36 | 5.3° | 0.5° |
| C26 | C25 | C24 | H24 | 180.0° | 179.9° |
| C25 | C26 | C27 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 176.2° | 180.0° |
| C26 | C25 | C24 | C29 | 0.1° | 0.2° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | C29 | 176.2° | 179.8° |
| C25 | C24 | C23 | N22 | 99.9° | 88.6° |
| C25 | C24 | C29 | C28 | 0.1° | 0.4° |
| C25 | C24 | C23 | H22 | 20.6° | 31.5° |
| C25 | C24 | C23 | H23 | 139.5° | 151.5° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C25 | C24 | C29 | H28 | 179.9° | 179.7° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C14 | N15 | C16 | H36 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 138.7° | 134.9° |
| N15 | C14 | C13 | C17 | 13.9° | 16.3° |
| C14 | N15 | C16 | C17 | 19.5° | 17.0° |
| N15 | C14 | C13 | H4 | 101.1° | 102.4° |
| C14 | N15 | C16 | H16 | 99.4° | 136.0° |
| C14 | N15 | C16 | H17 | 138.3° | 102.1° |
| C13 | C14 | N15 | C16 | 3.5° | 0.4° |
| C14 | C13 | C12 | C17 | 117.8° | 114.8° |
| C14 | C13 | C12 | H4 | 120.4° | 122.7° |
| C14 | C13 | C17 | H4 | 115.3° | 118.8° |
| C14 | C13 | C17 | C16 | 24.9° | 24.8° |
| C14 | C13 | C12 | C11 | 180.0° | 179.5° |
| C14 | C13 | C12 | H2 | 59.5° | 59.5° |
| C14 | C13 | C12 | H3 | 59.5° | 60.5° |
| C14 | C13 | C17 | H18 | 94.3° | 93.3° |
| C14 | C13 | C17 | H19 | 144.0° | 142.9° |
| C13 | C14 | N15 | H36 | 176.6° | 179.6° |
| C24 | C23 | N22 | H22 | 120.5° | 120.0° |
| C24 | C23 | N22 | H23 | 120.5° | 120.0° |
| C24 | C23 | N22 | P2 | 170.0° | 141.9° |
| C24 | C23 | N22 | C30 | 40.3° | 104.4° |
| C23 | C24 | C29 | C28 | 176.1° | 179.8° |
| C24 | C23 | H22 | H23 | 118.4° | 120.0° |
| C23 | C24 | C25 | H24 | 3.8° | 0.0° |
| C23 | C24 | C29 | H28 | 3.9° | 0.0° |
| C23 | N22 | P2 | O1 | 41.5° | 2.2° |
| N22 | C23 | C24 | C29 | 76.2° | 91.2° |
| C23 | N22 | P2 | C30 | 151.9° | 118.7° |
| C23 | N22 | P2 | O36 | 165.5° | 120.5° |
| C23 | N22 | P2 | N3 | 84.6° | 121.0° |
| C23 | N22 | C30 | C35 | 151.7° | 143.8° |
| C23 | N22 | C30 | C31 | 81.1° | 96.9° |
| N22 | C23 | H22 | H23 | 118.4° | 120.0° |
| C23 | N22 | C30 | H29 | 39.6° | 24.5° |
| O1 | P2 | N22 | O36 | 124.0° | 118.4° |
| O1 | P2 | N22 | N3 | 126.1° | 123.1° |
| O1 | P2 | N22 | C30 | 110.4° | 116.6° |
| O1 | P2 | O36 | N3 | 120.8° | 123.1° |
| O1 | P2 | O36 | C35 | 104.6° | 141.7° |
| O1 | P2 | N3 | C4 | 31.8° | 52.4° |
| O1 | P2 | N3 | H15 | 90.1° | 71.6° |
| C24 | C29 | C28 | C27 | 0.1° | 0.4° |
| C24 | C29 | C28 | H28 | 180.0° | 179.9° |
| C29 | C24 | C23 | H22 | 163.3° | 148.8° |
| C29 | C24 | C23 | H23 | 44.3° | 28.8° |
| C29 | C24 | C25 | H24 | 180.0° | 179.7° |
| C24 | C29 | C28 | H27 | 179.9° | 179.7° |
| N15 | C16 | C17 | C13 | 26.5° | 25.4° |
| N15 | C16 | C17 | H16 | 118.9° | 119.0° |
| N15 | C16 | C17 | H17 | 118.9° | 119.1° |
| N15 | C16 | H16 | H17 | 123.2° | 122.0° |
| N15 | C16 | C17 | H18 | 92.7° | 92.7° |
| N15 | C16 | C17 | H19 | 145.6° | 143.5° |
| C27 | C28 | C29 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | H25 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 179.9° | 179.8° |
| N22 | P2 | O36 | N3 | 111.7° | 118.5° |
| P2 | N22 | C30 | C35 | 0.9° | 25.1° |
| P2 | N22 | C30 | C31 | 128.1° | 144.3° |
| N22 | P2 | O36 | C35 | 22.9° | 23.2° |
| N22 | P2 | N3 | C4 | 164.3° | 175.6° |
| N22 | P2 | N3 | H15 | 42.5° | 51.6° |
| P2 | N22 | C23 | H22 | 69.5° | 98.1° |
| P2 | N22 | C23 | H23 | 49.5° | 21.9° |
| P2 | N22 | C30 | H29 | 111.2° | 94.2° |
| C30 | N22 | P2 | O36 | 13.6° | 1.8° |
| C30 | N22 | P2 | N3 | 123.5° | 120.3° |
| N22 | C30 | C35 | C31 | 131.1° | 119.3° |
| N22 | C30 | C35 | H29 | 112.6° | 119.4° |
| N22 | C30 | C31 | H29 | 121.0° | 121.5° |
| N22 | C30 | C35 | O36 | 14.5° | 43.9° |
| N22 | C30 | C31 | O34 | 134.1° | 1.4° |
| N22 | C30 | C31 | O32 | 47.1° | 178.6° |
| C30 | N22 | C23 | H22 | 80.2° | 15.6° |
| C30 | N22 | C23 | H23 | 160.8° | 135.6° |
| N22 | C30 | C35 | H33 | 134.4° | 75.5° |
| N22 | C30 | C35 | H34 | 105.5° | 163.2° |
| C29 | C28 | C27 | H26 | 179.9° | 179.9° |
| C12 | C13 | C17 | H4 | 121.8° | 122.5° |
| C12 | C13 | C17 | C16 | 147.8° | 143.5° |
| C13 | C12 | C11 | H2 | 120.5° | 120.0° |
| C13 | C12 | C11 | H3 | 120.5° | 119.9° |
| C13 | C12 | C11 | N10 | 70.5° | 64.1° |
| C13 | C12 | C11 | C19 | 168.0° | 176.0° |
| C13 | C12 | C11 | H1 | 48.8° | 56.0° |
| C13 | C12 | H2 | H3 | 118.5° | 120.0° |
| C12 | C13 | C17 | H18 | 28.6° | 25.3° |
| C12 | C13 | C17 | H19 | 93.1° | 98.4° |
| C13 | C17 | C16 | H18 | 119.1° | 118.1° |
| C13 | C17 | C16 | H19 | 119.1° | 118.1° |
| C17 | C13 | C12 | C11 | 62.2° | 65.7° |
| C17 | C13 | C12 | H2 | 58.3° | 174.3° |
| C17 | C13 | C12 | H3 | 177.3° | 54.3° |
| C13 | C17 | C16 | H16 | 92.4° | 144.5° |
| C13 | C17 | C16 | H17 | 145.3° | 93.7° |
| C13 | C17 | H18 | H19 | 122.4° | 123.8° |
| P2 | O36 | C35 | C30 | 25.2° | 40.2° |
| O36 | P2 | N3 | C4 | 93.4° | 70.8° |
| O36 | P2 | N3 | H15 | 144.8° | 165.2° |
| P2 | O36 | C35 | H33 | 145.1° | 79.1° |
| P2 | O36 | C35 | H34 | 94.7° | 159.6° |
| N3 | P2 | O36 | C35 | 134.6° | 95.2° |
| P2 | N3 | C4 | H15 | 121.8° | 124.0° |
| P2 | N3 | C4 | C9 | 70.6° | 97.0° |
| P2 | N3 | C4 | C5 | 167.8° | 143.0° |
| P2 | N3 | C4 | H5 | 47.7° | 23.0° |
| C35 | C30 | C31 | H29 | 116.3° | 121.4° |
| C30 | C35 | O36 | H33 | 119.9° | 119.4° |
| C30 | C35 | O36 | H34 | 119.9° | 119.4° |
| C35 | C30 | C31 | O34 | 103.2° | 118.6° |
| C35 | C30 | C31 | O32 | 75.6° | 61.5° |
| C30 | C35 | H33 | H34 | 120.2° | 121.2° |
| C31 | C30 | C35 | O36 | 116.7° | 163.1° |
| C30 | C31 | O34 | O32 | 178.8° | 180.0° |
| C30 | C31 | O32 | C33 | 2.7° | 180.0° |
| C31 | C30 | C35 | H33 | 3.3° | 43.8° |
| C31 | C30 | C35 | H34 | 123.4° | 77.5° |
| C16 | C17 | C13 | H4 | 90.4° | 94.0° |
| C17 | C16 | H16 | H17 | 123.2° | 121.9° |
| C16 | C17 | H18 | H19 | 122.5° | 123.8° |
| C17 | C16 | N15 | H36 | 160.6° | 163.0° |
| C7 | C6 | C5 | C4 | 61.5° | 174.6° |
| C7 | C6 | C5 | C8 | 121.3° | 120.0° |
| C7 | C6 | C5 | H8 | 120.1° | 119.9° |
| C7 | C6 | C8 | H8 | 119.4° | 120.0° |
| C7 | C6 | C5 | H6 | 177.8° | 54.5° |
| C7 | C6 | C5 | H7 | 59.2° | 65.5° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 180.0° | 180.0° |
| C7 | C6 | C8 | H13 | 60.0° | 60.0° |
| C7 | C6 | C8 | H14 | 60.0° | 60.0° |
| C12 | C11 | N10 | C19 | 123.1° | 119.9° |
| C12 | C11 | N10 | H1 | 118.6° | 120.1° |
| C12 | C11 | N10 | C9 | 146.9° | 157.1° |
| C12 | C11 | C19 | H1 | 119.1° | 120.0° |
| C12 | C11 | C19 | O20 | 61.0° | 55.0° |
| C11 | C12 | H2 | H3 | 118.4° | 120.1° |
| C11 | C12 | C13 | H4 | 59.6° | 56.8° |
| C12 | C11 | C19 | H20 | 114.9° | 175.0° |
| C12 | C11 | N10 | H35 | 33.1° | 22.9° |
| C12 | C11 | C19 | S1 | 21.0° | 65.0° |
| O36 | C35 | C30 | H29 | 127.0° | 75.5° |
| O36 | C35 | H33 | H34 | 120.2° | 121.2° |
| O34 | C31 | O32 | C33 | 176.1° | 0.0° |
| O34 | C31 | C30 | H29 | 13.1° | 120.1° |
| O32 | C31 | C30 | H29 | 168.1° | 59.9° |
| C31 | O32 | C33 | H30 | 180.0° | 60.0° |
| C31 | O32 | C33 | H31 | 60.0° | 60.0° |
| C31 | O32 | C33 | H32 | 60.0° | 180.0° |
| N3 | C4 | C9 | N10 | 108.5° | 180.0° |
| N3 | C4 | C9 | C5 | 120.9° | 120.0° |
| N3 | C4 | C9 | H5 | 118.8° | 120.0° |
| N3 | C4 | C5 | H5 | 120.5° | 119.9° |
| N3 | C4 | C5 | C6 | 59.9° | 65.0° |
| N3 | C4 | C9 | O21 | 68.8° | 0.0° |
| N3 | C4 | C5 | H6 | 60.9° | 55.1° |
| N3 | C4 | C5 | H7 | 179.4° | 175.0° |
| C11 | N10 | C9 | H35 | 180.0° | 180.0° |
| C11 | N10 | C9 | C4 | 173.3° | 180.0° |
| N10 | C11 | C19 | H1 | 118.7° | 120.0° |
| C11 | N10 | C9 | O21 | 4.0° | 0.1° |
| N10 | C11 | C19 | O20 | 176.9° | 175.0° |
| N10 | C11 | C12 | H2 | 169.0° | 55.9° |
| N10 | C11 | C12 | H3 | 50.1° | 175.9° |
| N10 | C11 | C19 | H20 | 7.3° | 65.0° |
| N10 | C11 | C19 | S1 | 101.1° | 55.0° |
| N10 | C9 | C4 | O21 | 177.4° | 180.0° |
| N10 | C9 | C4 | C5 | 130.6° | 60.0° |
| C9 | N10 | C11 | C19 | 90.0° | 83.0° |
| C9 | N10 | C11 | H1 | 28.3° | 37.0° |
| N10 | C9 | C4 | H5 | 10.3° | 60.1° |
| C9 | C4 | C5 | H5 | 120.4° | 120.0° |
| C9 | C4 | C5 | C6 | 179.0° | 175.0° |
| C9 | C4 | C5 | H6 | 58.3° | 65.0° |
| C9 | C4 | C5 | H7 | 60.2° | 54.9° |
| C9 | C4 | N3 | H15 | 167.6° | 139.0° |
| C4 | C9 | N10 | H35 | 6.6° | 0.0° |
| C4 | C5 | C6 | H6 | 120.7° | 120.0° |
| C4 | C5 | C6 | H7 | 120.7° | 120.0° |
| C4 | C5 | C6 | C8 | 177.2° | 65.4° |
| C5 | C4 | C9 | O21 | 52.0° | 120.0° |
| C4 | C5 | H6 | H7 | 117.7° | 119.9° |
| C4 | C5 | C6 | H8 | 58.6° | 54.6° |
| C5 | C4 | N3 | H15 | 46.0° | 19.0° |
| C5 | C6 | C8 | H8 | 118.8° | 120.1° |
| C6 | C5 | C4 | H5 | 60.6° | 54.9° |
| C6 | C5 | H6 | H7 | 117.7° | 120.1° |
| C5 | C6 | C7 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H10 | 60.0° | 180.0° |
| C5 | C6 | C7 | H11 | 60.0° | 60.0° |
| C5 | C6 | C8 | H12 | 58.2° | 60.0° |
| C5 | C6 | C8 | H13 | 61.9° | 180.0° |
| C5 | C6 | C8 | H14 | 178.1° | 60.0° |
| C8 | C6 | C5 | H6 | 56.4° | 174.5° |
| C8 | C6 | C5 | H7 | 62.1° | 54.5° |
| C8 | C6 | C7 | H9 | 58.9° | 60.0° |
| C8 | C6 | C7 | H10 | 61.1° | 60.0° |
| C8 | C6 | C7 | H11 | 178.9° | 180.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.1° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| C11 | C19 | O20 | H20 | 175.7° | 120.0° |
| C11 | C19 | O20 | S1 | 90.4° | 120.0° |
| C19 | C11 | C12 | H2 | 47.5° | 64.1° |
| C19 | C11 | C12 | H3 | 71.4° | 56.0° |
| C11 | C19 | H20 | S1 | 95.0° | 120.0° |
| C19 | C11 | N10 | H35 | 90.0° | 97.1° |
| C11 | C19 | O20 | H37 | 180.0° | 60.0° |
| C11 | C19 | S1 | O7 | 90.0° | 175.0° |
| C11 | C19 | S1 | O8 | 90.0° | 63.3° |
| C11 | C19 | S1 | O9 | 90.0° | 73.4° |
| O21 | C9 | C4 | H5 | 172.4° | 120.0° |
| O21 | C9 | N10 | H35 | 176.0° | 180.0° |
| O32 | C33 | H30 | H31 | 120.0° | 120.0° |
| O32 | C33 | H30 | H32 | 120.0° | 120.0° |
| O32 | C33 | H31 | H32 | 120.0° | 120.0° |
| O20 | C19 | C11 | H1 | 58.2° | 65.0° |
| O20 | C19 | H20 | S1 | 80.1° | 120.0° |
| O20 | C19 | S1 | O7 | 90.0° | 55.0° |
| O20 | C19 | S1 | O8 | 90.0° | 56.6° |
| O20 | C19 | S1 | O9 | 90.0° | 166.6° |
| H1 | C11 | C12 | H2 | 71.7° | 175.9° |
| H1 | C11 | C12 | H3 | 169.3° | 64.0° |
| H1 | C11 | C19 | H20 | 126.0° | 55.0° |
| H1 | C11 | N10 | H35 | 151.7° | 142.9° |
| H1 | C11 | C19 | S1 | 140.1° | 175.0° |
| H2 | C12 | C13 | H4 | 179.9° | 63.2° |
| H3 | C12 | C13 | H4 | 60.9° | 176.8° |
| H4 | C13 | C17 | H18 | 150.4° | 147.9° |
| H4 | C13 | C17 | H19 | 28.8° | 24.1° |
| H5 | C4 | C5 | H6 | 178.6° | 175.0° |
| H5 | C4 | C5 | H7 | 60.1° | 65.1° |
| H5 | C4 | N3 | H15 | 74.1° | 101.0° |
| H6 | C5 | C6 | H8 | 62.2° | 65.4° |
| H7 | C5 | C6 | H8 | 179.3° | 174.6° |
| H8 | C6 | C7 | H9 | 60.1° | 180.0° |
| H8 | C6 | C7 | H10 | 179.9° | 60.0° |
| H8 | C6 | C7 | H11 | 59.9° | 60.0° |
| H8 | C6 | C8 | H12 | 60.7° | 60.1° |
| H8 | C6 | C8 | H13 | 179.3° | 60.0° |
| H8 | C6 | C8 | H14 | 59.3° | 180.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| H16 | C16 | C17 | H18 | 148.4° | 26.3° |
| H16 | C16 | C17 | H19 | 26.7° | 97.4° |
| H16 | C16 | N15 | H36 | 80.6° | 43.9° |
| H17 | C16 | C17 | H18 | 26.2° | 148.2° |
| H17 | C16 | C17 | H19 | 95.5° | 24.4° |
| H17 | C16 | N15 | H36 | 41.7° | 78.0° |
| H20 | C19 | O20 | H37 | 4.3° | 180.0° |
| H20 | C19 | S1 | O7 | 90.0° | 65.0° |
| H20 | C19 | S1 | O8 | 90.0° | 176.6° |
| H20 | C19 | S1 | O9 | 90.0° | 46.6° |
| H24 | C25 | C26 | H25 | 0.0° | 0.1° |
| H25 | C26 | C27 | H26 | 0.1° | 0.1° |
| H26 | C27 | C28 | H27 | 0.1° | 0.0° |
| H27 | C28 | C29 | H28 | 0.1° | 0.1° |
| H29 | C30 | C35 | H33 | 113.0° | 165.1° |
| H29 | C30 | C35 | H34 | 7.1° | 43.9° |
| H30 | C33 | H31 | H32 | 120.0° | 120.0° |
| H37 | O20 | C19 | S1 | 89.6° | 60.0° |
| C19 | S1 | O7 | O8 | 90.0° | 116.0° |
| C19 | S1 | O7 | O9 | 90.0° | 116.1° |
| C19 | S1 | O8 | O9 | 90.0° | 131.5° |
| C19 | S1 | O7 | H21 | 90.0° | 180.0° |
| O7 | S1 | O8 | O9 | 90.0° | 116.8° |
| O8 | S1 | O7 | H21 | 90.0° | 64.0° |
| O9 | S1 | O7 | H21 | 90.0° | 63.9° |
