ZU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.49Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.52Å | |
| C6 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.50Å | Aromatic |
| C13 | O15 | sing | 1.45Å | 1.46Å | |
| O15 | C17 | sing | 1.35Å | 1.41Å | |
| C17 | O19 | doub | 1.21Å | 1.25Å | |
| C17 | N21 | sing | 1.35Å | 1.45Å | |
| N21 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C31 | sing | 1.51Å | 1.54Å | |
| C25 | N27 | sing | 1.46Å | 1.50Å | |
| N27 | C29 | sing | 1.35Å | 1.46Å | |
| C29 | O43 | doub | 1.21Å | 1.24Å | |
| C29 | C45 | sing | 1.51Å | 1.54Å | |
| C31 | N33 | sing | 1.35Å | 1.48Å | |
| C31 | O35 | doub | 1.21Å | 1.21Å | |
| N33 | C37 | sing | 1.47Å | 1.58Å | |
| C37 | C39 | sing | 1.51Å | 1.53Å | |
| C37 | C41 | sing | 1.53Å | 1.47Å | |
| C39 | O47 | doub | 1.21Å | 1.23Å | |
| C39 | N49 | sing | 1.35Å | 1.45Å | |
| C41 | C51 | sing | 1.53Å | 1.60Å | |
| C45 | C76 | sing | 1.53Å | 1.55Å | |
| C45 | C78 | sing | 1.53Å | 1.56Å | |
| C45 | C80 | sing | 1.53Å | 1.55Å | |
| N49 | C57 | sing | 1.47Å | 1.49Å | |
| C51 | C53 | sing | 1.53Å | 1.52Å | |
| C51 | C55 | sing | 1.53Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.56Å | |
| C57 | C63 | sing | 1.53Å | 1.55Å | |
| C59 | C61 | sing | 1.53Å | 1.55Å | |
| C61 | C65 | sing | 1.51Å | 1.46Å | |
| C61 | C73 | sing | 1.55Å | 1.56Å | |
| C63 | C82 | sing | 1.53Å | 1.55Å | |
| C65 | O66 | doub | 1.21Å | 1.25Å | |
| C65 | N69 | sing | 1.34Å | 1.42Å | |
| N69 | C71 | sing | 1.47Å | 1.49Å | |
| C71 | C73 | sing | 1.54Å | 1.55Å | |
| C82 | C84 | sing | 1.51Å | 1.53Å | |
| C84 | C86 | sing | 1.51Å | 1.52Å | |
| C84 | O88 | doub | 1.21Å | 1.24Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| N49 | HN49 | sing | 0.97Å | 1.00Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C55 | H55B | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| N69 | HN69 | sing | 0.97Å | 1.00Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H73A | sing | 1.09Å | 1.10Å | |
| C76 | H76 | sing | 1.09Å | 1.10Å | |
| C76 | H76A | sing | 1.09Å | 1.10Å | |
| C76 | H76B | sing | 1.09Å | 1.10Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C78 | H78A | sing | 1.09Å | 1.10Å | |
| C78 | H78B | sing | 1.09Å | 1.10Å | |
| C80 | H80 | sing | 1.09Å | 1.10Å | |
| C80 | H80A | sing | 1.09Å | 1.10Å | |
| C80 | H80B | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| C82 | H82A | sing | 1.09Å | 1.10Å | |
| C86 | H86 | sing | 1.09Å | 1.10Å | |
| C86 | H86A | sing | 1.09Å | 1.10Å | |
| C86 | H86B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 119.5° | 120.0° |
| C1 | C2 | C4 | 120.3° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C10 | C8 | 119.8° | 120.0° |
| C10 | C1 | H1 | 120.2° | 119.9° |
| C1 | C10 | H10 | 120.1° | 120.0° |
| C2 | C4 | C6 | 120.0° | 120.0° |
| C2 | C4 | C13 | 121.3° | 120.0° |
| C4 | C2 | H2 | 119.9° | 120.0° |
| C6 | C4 | C13 | 118.8° | 120.1° |
| C4 | C6 | C8 | 119.6° | 120.1° |
| C4 | C6 | H6 | 120.2° | 119.9° |
| C4 | C13 | O15 | 110.9° | 109.5° |
| C4 | C13 | H13 | 109.0° | 109.5° |
| C4 | C13 | H13A | 109.0° | 109.5° |
| C6 | C8 | C10 | 120.8° | 120.0° |
| C8 | C6 | H6 | 120.2° | 120.0° |
| C6 | C8 | H8 | 119.6° | 120.0° |
| C10 | C8 | H8 | 119.6° | 120.0° |
| C8 | C10 | H10 | 120.1° | 120.0° |
| C13 | O15 | C17 | 112.2° | 117.0° |
| O15 | C13 | H13 | 109.0° | 109.5° |
| O15 | C13 | H13A | 109.0° | 109.4° |
| O15 | C17 | O19 | 118.4° | 120.0° |
| O15 | C17 | N21 | 117.4° | 120.0° |
| O19 | C17 | N21 | 124.0° | 120.0° |
| C17 | N21 | C23 | 129.5° | 120.0° |
| C17 | N21 | HN21 | 115.3° | 120.0° |
| N21 | C23 | C25 | 108.7° | 109.5° |
| N21 | C23 | C31 | 111.1° | 109.5° |
| C23 | N21 | HN21 | 115.2° | 120.0° |
| N21 | C23 | H23 | 111.5° | 109.4° |
| C25 | C23 | C31 | 116.1° | 109.5° |
| C23 | C25 | N27 | 113.1° | 109.5° |
| C25 | C23 | H23 | 106.0° | 109.5° |
| C23 | C25 | H25 | 108.3° | 109.5° |
| C23 | C25 | H25A | 108.3° | 109.5° |
| C23 | C31 | N33 | 124.1° | 120.0° |
| C23 | C31 | O35 | 115.1° | 120.0° |
| C31 | C23 | H23 | 103.2° | 109.5° |
| C25 | N27 | C29 | 122.5° | 120.0° |
| N27 | C25 | H25 | 108.3° | 109.5° |
| N27 | C25 | H25A | 108.3° | 109.5° |
| C25 | N27 | HN27 | 118.7° | 120.0° |
| N27 | C29 | O43 | 119.3° | 120.0° |
| N27 | C29 | C45 | 121.6° | 120.0° |
| C29 | N27 | HN27 | 118.7° | 120.0° |
| O43 | C29 | C45 | 119.1° | 120.0° |
| C29 | C45 | C76 | 111.6° | 109.5° |
| C29 | C45 | C78 | 109.2° | 109.5° |
| C29 | C45 | C80 | 110.3° | 109.5° |
| N33 | C31 | O35 | 120.7° | 120.0° |
| C31 | N33 | C37 | 103.7° | 120.0° |
| C31 | N33 | HN33 | 128.1° | 120.0° |
| N33 | C37 | C39 | 112.0° | 109.4° |
| N33 | C37 | C41 | 100.5° | 109.5° |
| C37 | N33 | HN33 | 128.1° | 120.0° |
| N33 | C37 | H37 | 114.1° | 109.4° |
| C39 | C37 | C41 | 110.8° | 109.5° |
| C37 | C39 | O47 | 139.0° | 120.1° |
| C37 | C39 | N49 | 101.6° | 120.0° |
| C39 | C37 | H37 | 104.5° | 109.5° |
| C37 | C41 | C51 | 132.7° | 109.5° |
| C41 | C37 | H37 | 115.2° | 109.5° |
| C37 | C41 | H41 | 102.3° | 109.5° |
| C37 | C41 | H41A | 102.3° | 109.5° |
| O47 | C39 | N49 | 117.7° | 120.0° |
| C39 | N49 | C57 | 120.2° | 120.0° |
| C39 | N49 | HN49 | 119.9° | 120.0° |
| C41 | C51 | C53 | 110.2° | 109.5° |
| C41 | C51 | C55 | 128.8° | 109.5° |
| C51 | C41 | H41 | 102.4° | 109.4° |
| C51 | C41 | H41A | 102.4° | 109.5° |
| C41 | C51 | H51 | 92.4° | 109.5° |
| C76 | C45 | C78 | 110.5° | 109.4° |
| C76 | C45 | C80 | 109.1° | 109.5° |
| C45 | C76 | H76 | 109.5° | 109.5° |
| C45 | C76 | H76A | 109.5° | 109.4° |
| C45 | C76 | H76B | 109.5° | 109.4° |
| C78 | C45 | C80 | 105.9° | 109.5° |
| C45 | C78 | H78 | 109.5° | 109.5° |
| C45 | C78 | H78A | 109.5° | 109.5° |
| C45 | C78 | H78B | 109.5° | 109.5° |
| C45 | C80 | H80 | 109.5° | 109.4° |
| C45 | C80 | H80A | 109.5° | 109.5° |
| C45 | C80 | H80B | 109.4° | 109.5° |
| N49 | C57 | C59 | 109.7° | 109.5° |
| N49 | C57 | C63 | 109.2° | 109.5° |
| C57 | N49 | HN49 | 119.9° | 120.0° |
| N49 | C57 | H57 | 110.3° | 109.5° |
| C53 | C51 | C55 | 108.3° | 109.5° |
| C53 | C51 | H51 | 121.4° | 109.5° |
| C51 | C53 | H53 | 109.5° | 109.5° |
| C51 | C53 | H53A | 109.4° | 109.5° |
| C51 | C53 | H53B | 109.5° | 109.4° |
| C55 | C51 | H51 | 95.2° | 109.5° |
| C51 | C55 | H55 | 109.5° | 109.5° |
| C51 | C55 | H55A | 109.5° | 109.5° |
| C51 | C55 | H55B | 109.5° | 109.4° |
| C59 | C57 | C63 | 111.8° | 109.5° |
| C57 | C59 | C61 | 116.8° | 109.4° |
| C59 | C57 | H57 | 107.6° | 109.5° |
| C57 | C59 | H59 | 107.1° | 109.5° |
| C57 | C59 | H59A | 107.1° | 109.5° |
| C57 | C63 | C82 | 110.3° | 109.5° |
| C63 | C57 | H57 | 108.2° | 109.4° |
| C57 | C63 | H63 | 109.2° | 109.5° |
| C57 | C63 | H63A | 109.2° | 109.4° |
| C59 | C61 | C65 | 112.5° | 110.5° |
| C59 | C61 | C73 | 120.0° | 110.5° |
| C61 | C59 | H59 | 107.1° | 109.5° |
| C61 | C59 | H59A | 107.1° | 109.4° |
| C59 | C61 | H61 | 97.1° | 110.5° |
| C65 | C61 | C73 | 99.5° | 104.1° |
| C61 | C65 | O66 | 124.7° | 125.0° |
| C61 | C65 | N69 | 110.6° | 110.2° |
| C65 | C61 | H61 | 118.4° | 110.5° |
| C61 | C73 | C71 | 101.1° | 101.8° |
| C73 | C61 | H61 | 110.6° | 110.6° |
| C61 | C73 | H73 | 112.4° | 111.0° |
| C61 | C73 | H73A | 112.4° | 111.0° |
| C63 | C82 | C84 | 112.1° | 109.5° |
| C82 | C63 | H63 | 109.2° | 109.5° |
| C82 | C63 | H63A | 109.2° | 109.5° |
| C63 | C82 | H82 | 108.6° | 109.5° |
| C63 | C82 | H82A | 108.6° | 109.5° |
| O66 | C65 | N69 | 124.7° | 124.9° |
| C65 | N69 | C71 | 108.1° | 111.2° |
| C65 | N69 | HN69 | 126.0° | 124.4° |
| N69 | C71 | C73 | 100.0° | 105.5° |
| C71 | N69 | HN69 | 126.0° | 124.4° |
| N69 | C71 | H71 | 112.8° | 110.2° |
| N69 | C71 | H71A | 112.8° | 110.2° |
| C73 | C71 | H71 | 112.8° | 110.3° |
| C73 | C71 | H71A | 112.7° | 110.3° |
| C71 | C73 | H73 | 112.4° | 111.0° |
| C71 | C73 | H73A | 112.4° | 111.0° |
| C82 | C84 | C86 | 120.2° | 120.0° |
| C82 | C84 | O88 | 120.5° | 120.0° |
| C84 | C82 | H82 | 108.6° | 109.4° |
| C84 | C82 | H82A | 108.6° | 109.5° |
| C86 | C84 | O88 | 119.3° | 120.0° |
| C84 | C86 | H86 | 109.5° | 109.5° |
| C84 | C86 | H86A | 109.5° | 109.5° |
| C84 | C86 | H86B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.9° | 109.4° |
| H25 | C25 | H25A | 110.6° | 109.4° |
| H41 | C41 | H41A | 115.6° | 109.5° |
| H53 | C53 | H53A | 109.5° | 109.4° |
| H53 | C53 | H53B | 109.4° | 109.5° |
| H53A | C53 | H53B | 109.5° | 109.5° |
| H55 | C55 | H55A | 109.5° | 109.5° |
| H55 | C55 | H55B | 109.5° | 109.5° |
| H55A | C55 | H55B | 109.5° | 109.4° |
| H59 | C59 | H59A | 111.7° | 109.5° |
| H63 | C63 | H63A | 109.7° | 109.5° |
| H71 | C71 | H71A | 106.0° | 110.2° |
| H73 | C73 | H73A | 106.4° | 110.8° |
| H76 | C76 | H76A | 109.4° | 109.5° |
| H76 | C76 | H76B | 109.5° | 109.5° |
| H76A | C76 | H76B | 109.5° | 109.5° |
| H78 | C78 | H78A | 109.4° | 109.4° |
| H78 | C78 | H78B | 109.5° | 109.4° |
| H78A | C78 | H78B | 109.5° | 109.5° |
| H80 | C80 | H80A | 109.5° | 109.5° |
| H80 | C80 | H80B | 109.5° | 109.5° |
| H80A | C80 | H80B | 109.5° | 109.5° |
| H82 | C82 | H82A | 110.3° | 109.5° |
| H86 | C86 | H86A | 109.5° | 109.4° |
| H86 | C86 | H86B | 109.4° | 109.5° |
| H86A | C86 | H86B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H1 | 180.0° | 179.8° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C1 | C2 | C4 | C6 | 0.2° | 0.0° |
| C1 | C2 | C4 | C13 | 179.6° | 180.0° |
| C2 | C1 | C10 | C8 | 0.1° | 0.1° |
| C2 | C1 | C10 | H10 | 179.9° | 179.9° |
| C10 | C1 | C2 | C4 | 0.2° | 0.0° |
| C1 | C10 | C8 | C6 | 0.2° | 0.2° |
| C1 | C10 | C8 | H10 | 180.0° | 179.8° |
| C10 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C10 | C8 | H8 | 179.8° | 180.0° |
| C2 | C4 | C6 | C13 | 179.8° | 180.0° |
| C2 | C4 | C6 | C8 | 0.1° | 0.0° |
| C2 | C4 | C13 | O15 | 45.3° | 90.0° |
| C4 | C2 | C1 | H1 | 179.9° | 179.8° |
| C2 | C4 | C6 | H6 | 180.0° | 180.0° |
| C2 | C4 | C13 | H13 | 74.8° | 150.0° |
| C2 | C4 | C13 | H13A | 165.3° | 30.0° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C10 | 0.1° | 0.1° |
| C6 | C4 | C13 | O15 | 134.6° | 90.0° |
| C6 | C4 | C2 | H2 | 179.8° | 180.0° |
| C4 | C6 | C8 | H8 | 179.8° | 180.0° |
| C6 | C4 | C13 | H13 | 105.4° | 30.0° |
| C6 | C4 | C13 | H13A | 14.5° | 150.0° |
| C13 | C4 | C6 | C8 | 179.8° | 180.0° |
| C4 | C13 | O15 | H13 | 120.0° | 120.0° |
| C4 | C13 | O15 | H13A | 120.0° | 120.0° |
| C4 | C13 | O15 | C17 | 64.6° | 180.0° |
| C13 | C4 | C2 | H2 | 0.4° | 0.1° |
| C13 | C4 | C6 | H6 | 0.2° | 0.1° |
| C4 | C13 | H13 | H13A | 119.5° | 120.0° |
| C6 | C8 | C10 | H8 | 180.0° | 179.8° |
| C6 | C8 | C10 | H10 | 179.8° | 180.0° |
| C8 | C10 | C1 | H1 | 179.9° | 179.6° |
| C10 | C8 | C6 | H6 | 179.8° | 179.8° |
| C13 | O15 | C17 | O19 | 119.8° | 0.0° |
| C13 | O15 | C17 | N21 | 55.5° | 180.0° |
| O15 | C13 | H13 | H13A | 119.4° | 120.0° |
| O15 | C17 | O19 | N21 | 174.9° | 179.9° |
| O15 | C17 | N21 | C23 | 173.4° | 175.0° |
| C17 | O15 | C13 | H13 | 175.4° | 60.0° |
| C17 | O15 | C13 | H13A | 55.5° | 60.0° |
| O15 | C17 | N21 | HN21 | 6.6° | 5.0° |
| O19 | C17 | N21 | C23 | 1.5° | 4.9° |
| O19 | C17 | N21 | HN21 | 178.5° | 175.1° |
| C17 | N21 | C23 | HN21 | 180.0° | 180.0° |
| C17 | N21 | C23 | C25 | 114.2° | 152.8° |
| C17 | N21 | C23 | C31 | 14.7° | 87.2° |
| C17 | N21 | C23 | H23 | 129.3° | 32.8° |
| N21 | C23 | C25 | C31 | 126.1° | 120.0° |
| N21 | C23 | C25 | H23 | 120.0° | 120.0° |
| N21 | C23 | C31 | H23 | 119.7° | 119.9° |
| N21 | C23 | C25 | N27 | 49.3° | 56.1° |
| N21 | C23 | C31 | N33 | 81.1° | 180.0° |
| N21 | C23 | C31 | O35 | 94.9° | 0.1° |
| N21 | C23 | C25 | H25 | 70.7° | 63.9° |
| N21 | C23 | C25 | H25A | 169.3° | 176.2° |
| C25 | C23 | C31 | H23 | 115.5° | 120.0° |
| C23 | C25 | N27 | H25 | 120.0° | 120.0° |
| C23 | C25 | N27 | H25A | 120.0° | 120.0° |
| C23 | C25 | N27 | C29 | 54.4° | 174.9° |
| C25 | C23 | C31 | N33 | 43.7° | 59.9° |
| C25 | C23 | C31 | O35 | 140.3° | 120.0° |
| C25 | C23 | N21 | HN21 | 65.8° | 27.2° |
| C23 | C25 | H25 | H25A | 118.5° | 120.0° |
| C23 | C25 | N27 | HN27 | 125.6° | 5.1° |
| C31 | C23 | C25 | N27 | 175.3° | 176.2° |
| C23 | C31 | N33 | O35 | 175.8° | 179.9° |
| C23 | C31 | N33 | C37 | 166.8° | 180.0° |
| C31 | C23 | N21 | HN21 | 165.4° | 92.8° |
| C31 | C23 | C25 | H25 | 55.3° | 56.1° |
| C31 | C23 | C25 | H25A | 64.7° | 63.8° |
| C23 | C31 | N33 | HN33 | 13.2° | 0.1° |
| C25 | N27 | C29 | HN27 | 180.0° | 180.0° |
| C25 | N27 | C29 | O43 | 0.3° | 0.0° |
| C25 | N27 | C29 | C45 | 179.2° | 180.0° |
| N27 | C25 | C23 | H23 | 70.7° | 63.8° |
| N27 | C25 | H25 | H25A | 118.5° | 120.0° |
| N27 | C29 | O43 | C45 | 179.5° | 180.0° |
| N27 | C29 | C45 | C76 | 73.4° | 180.0° |
| N27 | C29 | C45 | C78 | 49.1° | 60.0° |
| N27 | C29 | C45 | C80 | 165.1° | 60.0° |
| C29 | N27 | C25 | H25 | 174.4° | 54.8° |
| C29 | N27 | C25 | H25A | 65.6° | 65.1° |
| O43 | C29 | C45 | C76 | 106.1° | 0.0° |
| O43 | C29 | C45 | C78 | 131.4° | 120.0° |
| O43 | C29 | C45 | C80 | 15.4° | 120.0° |
| O43 | C29 | N27 | HN27 | 179.7° | 180.0° |
| C29 | C45 | C76 | C78 | 121.7° | 120.0° |
| C29 | C45 | C76 | C80 | 122.2° | 120.0° |
| C29 | C45 | C78 | C80 | 118.8° | 120.0° |
| C45 | C29 | N27 | HN27 | 0.8° | 0.0° |
| C29 | C45 | C76 | H76 | 180.0° | 60.0° |
| C29 | C45 | C76 | H76A | 60.0° | 180.0° |
| C29 | C45 | C76 | H76B | 60.0° | 60.0° |
| C29 | C45 | C78 | H78 | 180.0° | 60.0° |
| C29 | C45 | C78 | H78A | 60.0° | 180.0° |
| C29 | C45 | C78 | H78B | 60.0° | 60.0° |
| C29 | C45 | C80 | H80 | 180.0° | 60.0° |
| C29 | C45 | C80 | H80A | 60.0° | 180.0° |
| C29 | C45 | C80 | H80B | 60.0° | 60.0° |
| C31 | N33 | C37 | HN33 | 180.0° | 179.9° |
| C31 | N33 | C37 | C39 | 81.9° | 155.0° |
| C31 | N33 | C37 | C41 | 160.4° | 85.0° |
| N33 | C31 | C23 | H23 | 159.3° | 60.1° |
| C31 | N33 | C37 | H37 | 36.5° | 35.1° |
| O35 | C31 | N33 | C37 | 17.4° | 0.1° |
| O35 | C31 | C23 | H23 | 24.7° | 120.0° |
| O35 | C31 | N33 | HN33 | 162.6° | 180.0° |
| N33 | C37 | C39 | C41 | 111.4° | 120.0° |
| N33 | C37 | C39 | H37 | 124.0° | 119.9° |
| N33 | C37 | C41 | H37 | 123.1° | 120.0° |
| N33 | C37 | C39 | O47 | 18.5° | 0.0° |
| N33 | C37 | C39 | N49 | 145.3° | 180.0° |
| N33 | C37 | C41 | C51 | 66.4° | 65.0° |
| N33 | C37 | C41 | H41 | 53.6° | 55.0° |
| N33 | C37 | C41 | H41A | 173.6° | 175.0° |
| C39 | C37 | C41 | H37 | 118.3° | 120.1° |
| C37 | C39 | O47 | N49 | 162.1° | 180.0° |
| C39 | C37 | C41 | C51 | 175.1° | 175.0° |
| C37 | C39 | N49 | C57 | 169.7° | 180.0° |
| C39 | C37 | N33 | HN33 | 98.1° | 25.1° |
| C39 | C37 | C41 | H41 | 64.9° | 65.0° |
| C39 | C37 | C41 | H41A | 55.0° | 55.0° |
| C37 | C39 | N49 | HN49 | 10.3° | 0.0° |
| C41 | C37 | C39 | O47 | 92.8° | 120.0° |
| C41 | C37 | C39 | N49 | 103.3° | 60.0° |
| C37 | C41 | C51 | H41 | 120.0° | 120.0° |
| C37 | C41 | C51 | H41A | 120.0° | 120.0° |
| C37 | C41 | C51 | C53 | 169.5° | 175.0° |
| C37 | C41 | C51 | C55 | 33.0° | 65.0° |
| C41 | C37 | N33 | HN33 | 19.6° | 94.9° |
| C37 | C41 | H41 | H41A | 110.3° | 120.0° |
| C37 | C41 | C51 | H51 | 65.7° | 55.0° |
| O47 | C39 | N49 | C57 | 1.6° | 0.0° |
| O47 | C39 | C37 | H37 | 142.5° | 119.9° |
| O47 | C39 | N49 | HN49 | 178.4° | 180.0° |
| C39 | N49 | C57 | HN49 | 180.0° | 180.0° |
| C39 | N49 | C57 | C59 | 106.8° | 155.0° |
| C39 | N49 | C57 | C63 | 130.3° | 85.0° |
| N49 | C39 | C37 | H37 | 21.3° | 60.1° |
| C39 | N49 | C57 | H57 | 11.6° | 35.0° |
| C41 | C51 | C53 | C55 | 145.6° | 120.0° |
| C41 | C51 | C53 | H51 | 106.1° | 120.0° |
| C41 | C51 | C55 | H51 | 97.4° | 120.0° |
| C51 | C41 | C37 | H37 | 56.7° | 55.0° |
| C51 | C41 | H41 | H41A | 110.4° | 120.0° |
| C41 | C51 | C53 | H53 | 180.0° | 60.0° |
| C41 | C51 | C53 | H53A | 60.0° | 180.0° |
| C41 | C51 | C53 | H53B | 60.0° | 60.0° |
| C41 | C51 | C55 | H55 | 180.0° | 60.0° |
| C41 | C51 | C55 | H55A | 60.0° | 60.0° |
| C41 | C51 | C55 | H55B | 60.0° | 180.0° |
| C76 | C45 | C78 | C80 | 118.0° | 120.0° |
| C45 | C76 | H76 | H76A | 120.0° | 120.0° |
| C45 | C76 | H76 | H76B | 120.0° | 120.0° |
| C45 | C76 | H76A | H76B | 120.0° | 119.9° |
| C76 | C45 | C78 | H78 | 56.9° | 180.0° |
| C76 | C45 | C78 | H78A | 176.8° | 60.0° |
| C76 | C45 | C78 | H78B | 63.2° | 60.0° |
| C76 | C45 | C80 | H80 | 57.0° | 60.0° |
| C76 | C45 | C80 | H80A | 63.0° | 60.0° |
| C76 | C45 | C80 | H80B | 177.0° | 180.0° |
| C78 | C45 | C76 | H76 | 58.2° | 60.0° |
| C78 | C45 | C76 | H76A | 61.7° | 60.0° |
| C78 | C45 | C76 | H76B | 178.3° | 180.0° |
| C45 | C78 | H78 | H78A | 120.0° | 120.0° |
| C45 | C78 | H78 | H78B | 120.0° | 120.1° |
| C45 | C78 | H78A | H78B | 120.0° | 120.1° |
| C78 | C45 | C80 | H80 | 61.9° | 180.0° |
| C78 | C45 | C80 | H80A | 178.1° | 60.0° |
| C78 | C45 | C80 | H80B | 58.1° | 60.0° |
| C80 | C45 | C76 | H76 | 57.8° | 180.0° |
| C80 | C45 | C76 | H76A | 177.8° | 60.0° |
| C80 | C45 | C76 | H76B | 62.2° | 60.0° |
| C80 | C45 | C78 | H78 | 61.2° | 60.0° |
| C80 | C45 | C78 | H78A | 58.8° | 60.0° |
| C80 | C45 | C78 | H78B | 178.8° | 180.0° |
| C45 | C80 | H80 | H80A | 120.0° | 120.0° |
| C45 | C80 | H80 | H80B | 120.0° | 120.0° |
| C45 | C80 | H80A | H80B | 120.0° | 120.0° |
| N49 | C57 | C59 | C63 | 121.3° | 120.0° |
| N49 | C57 | C59 | H57 | 120.1° | 120.0° |
| N49 | C57 | C63 | H57 | 120.1° | 120.0° |
| N49 | C57 | C59 | C61 | 69.3° | 65.0° |
| N49 | C57 | C63 | C82 | 60.0° | 65.0° |
| N49 | C57 | C59 | H59 | 50.8° | 55.0° |
| N49 | C57 | C59 | H59A | 170.7° | 175.0° |
| N49 | C57 | C63 | H63 | 180.0° | 175.0° |
| N49 | C57 | C63 | H63A | 60.0° | 55.0° |
| C53 | C51 | C55 | H51 | 125.5° | 120.0° |
| C53 | C51 | C41 | H41 | 70.5° | 55.0° |
| C53 | C51 | C41 | H41A | 49.5° | 65.0° |
| C51 | C53 | H53 | H53A | 120.0° | 120.0° |
| C51 | C53 | H53 | H53B | 120.0° | 120.0° |
| C51 | C53 | H53A | H53B | 120.0° | 120.0° |
| C53 | C51 | C55 | H55 | 42.8° | 60.0° |
| C53 | C51 | C55 | H55A | 77.2° | 180.0° |
| C53 | C51 | C55 | H55B | 162.8° | 60.0° |
| C55 | C51 | C41 | H41 | 153.0° | 175.0° |
| C55 | C51 | C41 | H41A | 87.0° | 55.0° |
| C55 | C51 | C53 | H53 | 34.4° | 60.0° |
| C55 | C51 | C53 | H53A | 154.4° | 60.0° |
| C55 | C51 | C53 | H53B | 85.6° | 180.0° |
| C51 | C55 | H55 | H55A | 120.0° | 120.0° |
| C51 | C55 | H55 | H55B | 120.0° | 120.0° |
| C51 | C55 | H55A | H55B | 120.0° | 119.9° |
| C59 | C57 | C63 | H57 | 118.3° | 120.0° |
| C57 | C59 | C61 | H59 | 120.0° | 120.0° |
| C57 | C59 | C61 | H59A | 120.0° | 120.0° |
| C57 | C59 | C61 | C65 | 169.4° | 66.5° |
| C57 | C59 | C61 | C73 | 52.9° | 178.8° |
| C59 | C57 | C63 | C82 | 178.4° | 175.0° |
| C59 | C57 | N49 | HN49 | 73.2° | 25.0° |
| C57 | C59 | H59 | H59A | 117.0° | 120.0° |
| C57 | C59 | C61 | H61 | 65.8° | 56.1° |
| C59 | C57 | C63 | H63 | 58.4° | 55.0° |
| C59 | C57 | C63 | H63A | 61.6° | 65.0° |
| C63 | C57 | C59 | C61 | 169.5° | 175.0° |
| C57 | C63 | C82 | H63 | 120.0° | 120.1° |
| C57 | C63 | C82 | H63A | 120.0° | 119.9° |
| C57 | C63 | C82 | C84 | 88.4° | 180.0° |
| C63 | C57 | N49 | HN49 | 49.7° | 95.0° |
| C63 | C57 | C59 | H59 | 70.5° | 65.0° |
| C63 | C57 | C59 | H59A | 49.5° | 55.0° |
| C57 | C63 | H63 | H63A | 119.6° | 119.9° |
| C57 | C63 | C82 | H82 | 151.6° | 60.0° |
| C57 | C63 | C82 | H82A | 31.6° | 60.0° |
| C59 | C61 | C65 | C73 | 128.2° | 118.6° |
| C59 | C61 | C65 | H61 | 112.1° | 122.6° |
| C59 | C61 | C73 | H61 | 111.6° | 122.6° |
| C59 | C61 | C65 | O66 | 24.7° | 77.5° |
| C59 | C61 | C65 | N69 | 155.3° | 102.4° |
| C59 | C61 | C73 | C71 | 165.4° | 93.9° |
| C61 | C59 | C57 | H57 | 50.8° | 55.0° |
| C61 | C59 | H59 | H59A | 117.0° | 120.0° |
| C59 | C61 | C73 | H73 | 45.4° | 24.3° |
| C59 | C61 | C73 | H73A | 74.6° | 148.0° |
| C65 | C61 | C73 | H61 | 125.3° | 118.7° |
| C61 | C65 | O66 | N69 | 180.0° | 179.9° |
| C61 | C65 | N69 | C71 | 0.2° | 0.4° |
| C65 | C61 | C73 | C71 | 42.4° | 24.8° |
| C65 | C61 | C59 | H59 | 70.6° | 53.5° |
| C65 | C61 | C59 | H59A | 49.4° | 173.6° |
| C61 | C65 | N69 | HN69 | 179.9° | 179.7° |
| C65 | C61 | C73 | H73 | 77.6° | 143.0° |
| C65 | C61 | C73 | H73A | 162.4° | 93.4° |
| C73 | C61 | C65 | O66 | 152.9° | 163.8° |
| C73 | C61 | C65 | N69 | 27.1° | 16.3° |
| C61 | C73 | C71 | N69 | 42.5° | 25.4° |
| C61 | C73 | C71 | H73 | 120.0° | 118.1° |
| C61 | C73 | C71 | H73A | 120.0° | 118.1° |
| C73 | C61 | C59 | H59 | 172.9° | 61.2° |
| C73 | C61 | C59 | H59A | 67.1° | 58.8° |
| C61 | C73 | C71 | H71 | 77.5° | 144.4° |
| C61 | C73 | C71 | H71A | 162.5° | 93.6° |
| C61 | C73 | H73 | H73A | 123.4° | 123.8° |
| C63 | C82 | C84 | H82 | 120.0° | 120.0° |
| C63 | C82 | C84 | H82A | 120.0° | 120.0° |
| C63 | C82 | C84 | C86 | 159.0° | 180.0° |
| C63 | C82 | C84 | O88 | 21.3° | 0.0° |
| C82 | C63 | C57 | H57 | 60.1° | 55.0° |
| C82 | C63 | H63 | H63A | 119.7° | 120.0° |
| C63 | C82 | H82 | H82A | 118.9° | 120.0° |
| O66 | C65 | N69 | C71 | 179.9° | 179.5° |
| O66 | C65 | C61 | H61 | 87.3° | 45.0° |
| O66 | C65 | N69 | HN69 | 0.1° | 0.5° |
| C65 | N69 | C71 | HN69 | 180.0° | 180.0° |
| C65 | N69 | C71 | C73 | 26.9° | 17.0° |
| N69 | C65 | C61 | H61 | 92.6° | 135.1° |
| C65 | N69 | C71 | H71 | 93.1° | 136.0° |
| C65 | N69 | C71 | H71A | 146.9° | 102.1° |
| N69 | C71 | C73 | H71 | 120.0° | 119.0° |
| N69 | C71 | C73 | H71A | 120.0° | 119.0° |
| N69 | C71 | H71 | H71A | 123.8° | 121.9° |
| N69 | C71 | C73 | H73 | 77.5° | 143.6° |
| N69 | C71 | C73 | H73A | 162.5° | 92.7° |
| C71 | C73 | C61 | H61 | 83.0° | 143.5° |
| C73 | C71 | N69 | HN69 | 153.0° | 163.0° |
| C73 | C71 | H71 | H71A | 123.8° | 122.0° |
| C71 | C73 | H73 | H73A | 123.4° | 123.8° |
| C82 | C84 | C86 | O88 | 179.8° | 179.9° |
| C84 | C82 | C63 | H63 | 31.6° | 60.0° |
| C84 | C82 | C63 | H63A | 151.6° | 60.0° |
| C84 | C82 | H82 | H82A | 118.9° | 120.0° |
| C82 | C84 | C86 | H86 | 179.8° | 90.0° |
| C82 | C84 | C86 | H86A | 59.7° | 150.0° |
| C82 | C84 | C86 | H86B | 60.3° | 30.0° |
| C86 | C84 | C82 | H82 | 81.0° | 60.0° |
| C86 | C84 | C82 | H82A | 38.9° | 60.0° |
| C84 | C86 | H86 | H86A | 120.0° | 120.1° |
| C84 | C86 | H86 | H86B | 120.0° | 120.0° |
| C84 | C86 | H86A | H86B | 120.0° | 120.0° |
| O88 | C84 | C82 | H82 | 98.7° | 120.0° |
| O88 | C84 | C82 | H82A | 141.3° | 120.0° |
| O88 | C84 | C86 | H86 | 0.0° | 90.0° |
| O88 | C84 | C86 | H86A | 120.0° | 30.0° |
| O88 | C84 | C86 | H86B | 120.0° | 150.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H1 | C1 | C10 | H10 | 0.1° | 0.2° |
| H6 | C6 | C8 | H8 | 0.2° | 0.0° |
| H8 | C8 | C10 | H10 | 0.2° | 0.2° |
| HN21 | N21 | C23 | H23 | 50.8° | 147.2° |
| H23 | C23 | C25 | H25 | 169.3° | 176.1° |
| H23 | C23 | C25 | H25A | 49.3° | 56.2° |
| H25 | C25 | N27 | HN27 | 5.6° | 125.1° |
| H25A | C25 | N27 | HN27 | 114.4° | 114.9° |
| HN33 | N33 | C37 | H37 | 143.5° | 145.1° |
| H37 | C37 | C41 | H41 | 176.7° | 174.9° |
| H37 | C37 | C41 | H41A | 63.3° | 65.1° |
| H41 | C41 | C51 | H51 | 54.3° | 65.0° |
| H41A | C41 | C51 | H51 | 174.3° | 175.0° |
| HN49 | N49 | C57 | H57 | 168.4° | 145.0° |
| H51 | C51 | C53 | H53 | 73.9° | 180.0° |
| H51 | C51 | C53 | H53A | 46.1° | 60.0° |
| H51 | C51 | C53 | H53B | 166.1° | 60.0° |
| H51 | C51 | C55 | H55 | 82.6° | 180.0° |
| H51 | C51 | C55 | H55A | 157.3° | 60.0° |
| H51 | C51 | C55 | H55B | 37.4° | 60.0° |
| H53 | C53 | H53A | H53B | 120.0° | 120.0° |
| H55 | C55 | H55A | H55B | 120.0° | 120.0° |
| H57 | C57 | C59 | H59 | 170.8° | 175.0° |
| H57 | C57 | C59 | H59A | 69.2° | 65.0° |
| H57 | C57 | C63 | H63 | 59.9° | 65.1° |
| H57 | C57 | C63 | H63A | 179.9° | 175.0° |
| H59 | C59 | C61 | H61 | 54.2° | 176.1° |
| H59A | C59 | C61 | H61 | 174.2° | 63.9° |
| H61 | C61 | C73 | H73 | 157.0° | 98.3° |
| H61 | C61 | C73 | H73A | 37.1° | 25.3° |
| H63 | C63 | C82 | H82 | 88.4° | 179.9° |
| H63 | C63 | C82 | H82A | 151.6° | 60.1° |
| H63A | C63 | C82 | H82 | 31.6° | 59.9° |
| H63A | C63 | C82 | H82A | 88.4° | 179.9° |
| HN69 | N69 | C71 | H71 | 87.0° | 44.0° |
| HN69 | N69 | C71 | H71A | 33.0° | 77.9° |
| H71 | C71 | C73 | H73 | 162.5° | 97.4° |
| H71 | C71 | C73 | H73A | 42.5° | 26.3° |
| H71A | C71 | C73 | H73 | 42.5° | 24.6° |
| H71A | C71 | C73 | H73A | 77.5° | 148.3° |
| H76 | C76 | H76A | H76B | 120.0° | 120.0° |
| H78 | C78 | H78A | H78B | 120.0° | 119.9° |
| H80 | C80 | H80A | H80B | 120.0° | 120.1° |
| H86 | C86 | H86A | H86B | 120.0° | 120.0° |
