U5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.17Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.54Å | 1.49Å | |
| C08 | C09 | sing | 1.54Å | 1.55Å | |
| C02 | C03 | sing | 1.51Å | 1.48Å | |
| C02 | N37 | sing | 1.35Å | 1.44Å | |
| C03 | C05 | sing | 1.53Å | 1.52Å | |
| C03 | O04 | sing | 1.43Å | 1.37Å | |
| C07 | C10 | sing | 1.54Å | 1.55Å | |
| C05 | N11 | sing | 1.46Å | 1.44Å | |
| N11 | C12 | sing | 1.35Å | 1.41Å | |
| O35 | C21 | doub | 1.21Å | 1.25Å | |
| C09 | C10 | sing | 1.54Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | O36 | doub | 1.21Å | 1.23Å | |
| C13 | N20 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | sing | 1.54Å | 1.46Å | |
| C25 | C23 | sing | 1.53Å | 1.55Å | |
| C21 | N20 | sing | 1.35Å | 1.40Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| N29 | C30 | sing | 1.47Å | 1.48Å | |
| N29 | C28 | sing | 1.35Å | 1.40Å | |
| N27 | C28 | sing | 1.35Å | 1.40Å | |
| N27 | C22 | sing | 1.46Å | 1.42Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C30 | C33 | sing | 1.53Å | 1.51Å | |
| N20 | C19 | sing | 1.48Å | 1.43Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C28 | O34 | doub | 1.22Å | 1.20Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C26 | sing | 1.53Å | 1.55Å | |
| C19 | C15 | sing | 1.54Å | 1.51Å | |
| N29 | H1 | sing | 0.97Å | 1.00Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| N27 | H11 | sing | 0.97Å | 1.00Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N11 | H33 | sing | 0.97Å | 1.00Å | |
| C05 | H34 | sing | 1.09Å | 1.10Å | |
| C06 | H35 | sing | 1.09Å | 1.10Å | |
| C06 | H36 | sing | 1.09Å | 1.10Å | |
| C07 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C08 | H40 | sing | 1.09Å | 1.10Å | |
| C08 | H41 | sing | 1.09Å | 1.10Å | |
| C09 | H42 | sing | 1.09Å | 1.10Å | |
| C09 | H43 | sing | 1.09Å | 1.10Å | |
| O04 | H44 | sing | 0.97Å | 0.95Å | |
| C03 | H45 | sing | 1.09Å | 1.10Å | |
| N37 | H46 | sing | 0.97Å | 1.00Å | |
| N37 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 128.7° | 120.0° |
| O01 | C02 | N37 | 117.4° | 120.0° |
| C07 | C06 | C05 | 103.7° | 109.5° |
| C06 | C07 | C08 | 114.5° | 113.6° |
| C06 | C07 | C10 | 123.2° | 113.6° |
| C07 | C06 | H35 | 110.9° | 109.4° |
| C07 | C06 | H36 | 110.9° | 109.4° |
| C06 | C07 | H37 | 109.1° | 112.8° |
| C06 | C05 | C03 | 118.1° | 109.5° |
| C06 | C05 | N11 | 112.2° | 109.5° |
| C06 | C05 | H34 | 105.9° | 109.5° |
| C05 | C06 | H35 | 110.9° | 109.5° |
| C05 | C06 | H36 | 110.9° | 109.5° |
| C07 | C08 | C09 | 88.2° | 87.1° |
| C08 | C07 | C10 | 89.1° | 87.1° |
| C08 | C07 | H37 | 110.0° | 113.7° |
| C07 | C08 | H40 | 114.5° | 113.6° |
| C07 | C08 | H41 | 114.5° | 113.6° |
| C08 | C09 | C10 | 87.8° | 87.1° |
| C09 | C08 | H40 | 114.5° | 113.6° |
| C09 | C08 | H41 | 114.5° | 113.6° |
| C08 | C09 | H42 | 114.6° | 113.6° |
| C08 | C09 | H43 | 114.6° | 113.7° |
| C03 | C02 | N37 | 113.5° | 120.0° |
| C02 | C03 | C05 | 116.3° | 109.5° |
| C02 | C03 | O04 | 107.3° | 109.5° |
| C02 | C03 | H45 | 105.2° | 109.5° |
| C02 | N37 | H46 | 120.0° | 119.9° |
| C02 | N37 | H47 | 120.0° | 120.0° |
| C05 | C03 | O04 | 115.5° | 109.5° |
| C03 | C05 | N11 | 107.2° | 109.5° |
| C03 | C05 | H34 | 105.9° | 109.5° |
| C05 | C03 | H45 | 104.9° | 109.5° |
| C03 | O04 | H44 | 109.5° | 114.0° |
| O04 | C03 | H45 | 106.6° | 109.5° |
| C07 | C10 | C09 | 86.8° | 87.1° |
| C10 | C07 | H37 | 109.2° | 113.6° |
| C07 | C10 | H38 | 114.8° | 113.7° |
| C07 | C10 | H39 | 114.8° | 113.6° |
| C05 | N11 | C12 | 118.5° | 120.0° |
| C05 | N11 | H33 | 120.7° | 120.0° |
| N11 | C05 | H34 | 106.8° | 109.4° |
| N11 | C12 | C13 | 116.0° | 120.0° |
| N11 | C12 | O36 | 123.6° | 120.0° |
| C12 | N11 | H33 | 120.8° | 120.0° |
| O35 | C21 | N20 | 116.4° | 120.1° |
| O35 | C21 | C22 | 123.9° | 120.0° |
| C09 | C10 | H38 | 114.8° | 113.6° |
| C09 | C10 | H39 | 114.8° | 113.7° |
| C10 | C09 | H42 | 114.6° | 113.6° |
| C10 | C09 | H43 | 114.6° | 113.6° |
| C32 | C30 | N29 | 104.2° | 109.5° |
| C32 | C30 | C31 | 112.0° | 109.5° |
| C32 | C30 | C33 | 113.2° | 109.5° |
| C30 | C32 | H5 | 109.5° | 109.4° |
| C30 | C32 | H6 | 109.4° | 109.4° |
| C30 | C32 | H7 | 109.5° | 109.5° |
| C13 | C12 | O36 | 120.3° | 120.0° |
| C12 | C13 | N20 | 105.4° | 110.4° |
| C12 | C13 | C14 | 115.7° | 110.4° |
| C12 | C13 | H24 | 110.2° | 110.5° |
| N20 | C13 | C14 | 104.5° | 104.6° |
| C13 | N20 | C21 | 123.6° | 127.8° |
| C13 | N20 | C19 | 111.9° | 104.4° |
| N20 | C13 | H24 | 110.1° | 110.5° |
| C13 | C14 | C16 | 128.5° | 118.1° |
| C13 | C14 | C15 | 108.1° | 104.9° |
| C14 | C13 | H24 | 110.6° | 110.4° |
| C13 | C14 | H25 | 115.5° | 117.6° |
| C25 | C23 | C22 | 113.9° | 109.5° |
| C25 | C23 | C24 | 107.2° | 109.5° |
| C25 | C23 | C26 | 109.5° | 109.5° |
| C23 | C25 | H16 | 109.5° | 109.5° |
| C23 | C25 | H17 | 109.5° | 109.4° |
| C23 | C25 | H18 | 109.4° | 109.5° |
| N20 | C21 | C22 | 119.6° | 120.0° |
| C21 | N20 | C19 | 124.5° | 127.9° |
| C21 | C22 | N27 | 107.4° | 109.5° |
| C21 | C22 | C23 | 109.8° | 109.5° |
| C21 | C22 | H12 | 108.2° | 109.5° |
| C30 | N29 | C28 | 124.5° | 120.0° |
| N29 | C30 | C31 | 102.9° | 109.5° |
| N29 | C30 | C33 | 114.6° | 109.4° |
| C30 | N29 | H1 | 117.8° | 120.0° |
| N29 | C28 | N27 | 112.8° | 120.0° |
| N29 | C28 | O34 | 124.9° | 120.0° |
| C28 | N29 | H1 | 117.7° | 120.0° |
| C28 | N27 | C22 | 119.9° | 120.0° |
| N27 | C28 | O34 | 121.9° | 120.0° |
| C28 | N27 | H11 | 120.1° | 119.9° |
| N27 | C22 | C23 | 113.8° | 109.5° |
| C22 | N27 | H11 | 120.0° | 120.0° |
| N27 | C22 | H12 | 109.5° | 109.4° |
| C31 | C30 | C33 | 109.5° | 109.5° |
| C30 | C31 | H2 | 109.5° | 109.5° |
| C30 | C31 | H3 | 109.5° | 109.5° |
| C30 | C31 | H4 | 109.5° | 109.5° |
| C17 | C16 | C14 | 113.5° | 117.4° |
| C17 | C16 | C18 | 117.0° | 115.5° |
| C17 | C16 | C15 | 116.7° | 117.3° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C30 | C33 | H8 | 109.5° | 109.4° |
| C30 | C33 | H9 | 109.5° | 109.4° |
| C30 | C33 | H10 | 109.5° | 109.5° |
| N20 | C19 | C15 | 105.4° | 104.6° |
| N20 | C19 | H22 | 110.5° | 110.4° |
| N20 | C19 | H23 | 110.5° | 110.4° |
| C16 | C14 | C15 | 60.0° | 59.9° |
| C14 | C16 | C18 | 117.0° | 117.5° |
| C14 | C16 | C15 | 60.4° | 60.7° |
| C16 | C14 | H25 | 114.4° | 119.5° |
| C14 | C15 | C16 | 59.6° | 59.5° |
| C14 | C15 | C19 | 106.5° | 104.8° |
| C15 | C14 | H25 | 114.2° | 123.1° |
| C14 | C15 | H26 | 116.4° | 121.8° |
| C22 | C23 | C24 | 110.5° | 109.4° |
| C22 | C23 | C26 | 107.0° | 109.5° |
| C23 | C22 | H12 | 107.9° | 109.5° |
| C18 | C16 | C15 | 119.8° | 117.4° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.5° | 109.5° |
| C16 | C15 | C19 | 124.6° | 118.1° |
| C16 | C15 | H26 | 116.5° | 120.4° |
| C24 | C23 | C26 | 108.7° | 109.5° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.5° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| C23 | C26 | H19 | 109.5° | 109.4° |
| C23 | C26 | H20 | 109.5° | 109.5° |
| C23 | C26 | H21 | 109.4° | 109.5° |
| C15 | C19 | H22 | 110.5° | 110.4° |
| C15 | C19 | H23 | 110.5° | 110.4° |
| C19 | C15 | H26 | 116.9° | 117.6° |
| H2 | C31 | H3 | 109.4° | 109.5° |
| H2 | C31 | H4 | 109.5° | 109.5° |
| H3 | C31 | H4 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H5 | C32 | H7 | 109.5° | 109.5° |
| H6 | C32 | H7 | 109.4° | 109.5° |
| H8 | C33 | H9 | 109.5° | 109.5° |
| H8 | C33 | H10 | 109.4° | 109.5° |
| H9 | C33 | H10 | 109.4° | 109.6° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H13 | C24 | H15 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.4° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.4° |
| H19 | C26 | H21 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 110.5° |
| H27 | C17 | H28 | 109.4° | 109.4° |
| H27 | C17 | H29 | 109.5° | 109.4° |
| H28 | C17 | H29 | 109.4° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H32 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.4° | 109.4° |
| H35 | C06 | H36 | 109.5° | 109.5° |
| H38 | C10 | H39 | 109.5° | 112.8° |
| H40 | C08 | H41 | 109.5° | 112.9° |
| H42 | C09 | H43 | 109.5° | 112.9° |
| H46 | N37 | H47 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | N37 | 172.1° | 180.0° |
| O01 | C02 | C03 | C05 | 66.9° | 115.0° |
| O01 | C02 | C03 | O04 | 162.0° | 5.0° |
| O01 | C02 | C03 | H45 | 48.6° | 125.0° |
| O01 | C02 | N37 | H46 | 0.0° | 0.0° |
| O01 | C02 | N37 | H47 | 180.0° | 180.0° |
| C07 | C06 | C05 | H35 | 119.1° | 120.0° |
| C07 | C06 | C05 | H36 | 119.1° | 120.0° |
| C06 | C07 | C08 | C10 | 126.5° | 114.5° |
| C06 | C07 | C08 | H37 | 123.3° | 130.9° |
| C06 | C07 | C08 | C09 | 147.9° | 140.0° |
| C07 | C06 | C05 | C03 | 155.3° | 175.0° |
| C06 | C07 | C10 | H37 | 130.0° | 130.8° |
| C07 | C06 | C05 | N11 | 79.2° | 65.0° |
| C06 | C07 | C10 | C09 | 140.8° | 140.0° |
| C07 | C06 | C05 | H34 | 37.0° | 55.0° |
| C07 | C06 | H35 | H36 | 122.7° | 120.0° |
| C06 | C07 | C10 | H38 | 24.9° | 25.4° |
| C06 | C07 | C10 | H39 | 103.3° | 105.4° |
| C06 | C07 | C08 | H40 | 95.9° | 105.4° |
| C06 | C07 | C08 | H41 | 31.7° | 25.4° |
| C05 | C06 | C07 | C08 | 168.5° | 87.5° |
| C06 | C05 | C03 | C02 | 56.0° | 180.0° |
| C06 | C05 | C03 | N11 | 127.9° | 120.0° |
| C06 | C05 | C03 | H34 | 118.3° | 120.1° |
| C06 | C05 | C03 | O04 | 176.8° | 60.0° |
| C05 | C06 | C07 | C10 | 62.4° | 175.0° |
| C06 | C05 | N11 | H34 | 115.7° | 120.0° |
| C06 | C05 | N11 | C12 | 111.4° | 155.0° |
| C06 | C05 | N11 | H33 | 68.5° | 25.0° |
| C05 | C06 | H35 | H36 | 122.7° | 120.1° |
| C05 | C06 | C07 | H37 | 67.7° | 43.8° |
| C06 | C05 | C03 | H45 | 59.8° | 60.0° |
| C07 | C08 | C09 | H40 | 116.2° | 114.6° |
| C07 | C08 | C09 | H41 | 116.2° | 114.6° |
| C08 | C07 | C10 | H37 | 110.9° | 114.7° |
| C07 | C08 | C09 | C10 | 21.8° | 25.4° |
| C08 | C07 | C06 | H35 | 49.4° | 32.5° |
| C08 | C07 | C06 | H36 | 72.4° | 152.5° |
| C08 | C07 | C10 | H38 | 94.1° | 89.1° |
| C08 | C07 | C10 | H39 | 137.7° | 140.0° |
| C07 | C08 | H40 | H41 | 130.1° | 131.2° |
| C07 | C08 | C09 | H42 | 94.3° | 139.9° |
| C07 | C08 | C09 | H43 | 137.9° | 89.1° |
| C08 | C09 | C10 | H42 | 116.1° | 114.6° |
| C08 | C09 | C10 | H43 | 116.1° | 114.6° |
| C09 | C08 | C07 | H37 | 88.8° | 89.1° |
| C08 | C09 | C10 | H38 | 95.0° | 89.1° |
| C08 | C09 | C10 | H39 | 136.8° | 140.0° |
| C09 | C08 | H40 | H41 | 130.1° | 131.3° |
| C08 | C09 | H42 | H43 | 130.4° | 131.3° |
| C02 | C03 | C05 | O04 | 127.2° | 120.0° |
| C02 | C03 | C05 | H45 | 115.8° | 120.0° |
| C02 | C03 | O04 | H45 | 112.4° | 120.0° |
| C02 | C03 | C05 | N11 | 176.2° | 60.0° |
| C02 | C03 | C05 | H34 | 62.4° | 60.0° |
| C02 | C03 | O04 | H44 | 180.0° | 60.0° |
| C03 | C02 | N37 | H46 | 173.0° | 180.0° |
| C03 | C02 | N37 | H47 | 6.9° | 0.1° |
| N37 | C02 | C03 | C05 | 105.2° | 65.0° |
| N37 | C02 | C03 | O04 | 26.0° | 175.0° |
| N37 | C02 | C03 | H45 | 139.3° | 55.0° |
| C02 | N37 | H46 | H47 | 180.0° | 179.9° |
| C05 | C03 | O04 | H45 | 116.1° | 120.0° |
| C03 | C05 | N11 | H34 | 113.1° | 119.9° |
| C03 | C05 | N11 | C12 | 117.4° | 85.0° |
| C03 | C05 | N11 | H33 | 62.7° | 95.0° |
| C03 | C05 | C06 | H35 | 36.3° | 65.0° |
| C03 | C05 | C06 | H36 | 85.6° | 55.0° |
| C05 | C03 | O04 | H44 | 48.4° | 60.0° |
| O04 | C03 | C05 | N11 | 49.0° | 60.0° |
| O04 | C03 | C05 | H34 | 64.8° | 179.9° |
| C07 | C10 | C09 | H38 | 115.9° | 114.6° |
| C07 | C10 | C09 | H39 | 115.9° | 114.5° |
| C10 | C07 | C06 | H35 | 56.7° | 65.0° |
| C10 | C07 | C06 | H36 | 178.5° | 55.0° |
| C07 | C10 | H38 | H39 | 130.8° | 131.2° |
| C10 | C07 | C08 | H40 | 137.6° | 140.0° |
| C10 | C07 | C08 | H41 | 94.8° | 89.1° |
| C07 | C10 | C09 | H42 | 95.2° | 140.0° |
| C07 | C10 | C09 | H43 | 137.0° | 89.1° |
| C05 | N11 | C12 | H33 | 180.0° | 179.9° |
| C05 | N11 | C12 | C13 | 179.2° | 180.0° |
| C05 | N11 | C12 | O36 | 4.7° | 0.0° |
| N11 | C05 | C06 | H35 | 161.7° | 55.0° |
| N11 | C05 | C06 | H36 | 39.9° | 175.0° |
| N11 | C05 | C03 | H45 | 68.1° | 180.0° |
| N11 | C12 | C13 | O36 | 176.2° | 179.9° |
| N11 | C12 | C13 | N20 | 137.3° | 161.5° |
| N11 | C12 | C13 | C14 | 107.8° | 83.4° |
| N11 | C12 | C13 | H24 | 18.5° | 39.0° |
| C12 | N11 | C05 | H34 | 4.2° | 35.0° |
| O35 | C21 | N20 | C13 | 0.5° | 4.4° |
| O35 | C21 | N20 | C22 | 176.2° | 180.0° |
| O35 | C21 | C22 | N27 | 55.1° | 27.9° |
| O35 | C21 | N20 | C19 | 179.7° | 175.9° |
| O35 | C21 | C22 | C23 | 69.2° | 92.2° |
| O35 | C21 | C22 | H12 | 173.3° | 147.8° |
| C09 | C10 | C07 | H37 | 89.2° | 89.2° |
| C09 | C10 | H38 | H39 | 130.8° | 131.3° |
| C10 | C09 | C08 | H40 | 138.0° | 140.0° |
| C10 | C09 | C08 | H41 | 94.4° | 89.1° |
| C10 | C09 | H42 | H43 | 130.3° | 131.2° |
| C32 | C30 | N29 | C31 | 117.0° | 120.0° |
| C32 | C30 | N29 | C33 | 124.2° | 120.0° |
| C32 | C30 | N29 | C28 | 175.2° | 59.9° |
| C32 | C30 | C31 | C33 | 126.4° | 120.0° |
| C32 | C30 | N29 | H1 | 4.8° | 119.9° |
| C32 | C30 | C31 | H2 | 180.0° | 60.0° |
| C32 | C30 | C31 | H3 | 60.0° | 60.0° |
| C32 | C30 | C31 | H4 | 60.0° | 180.0° |
| C30 | C32 | H5 | H6 | 120.0° | 119.9° |
| C30 | C32 | H5 | H7 | 120.0° | 120.0° |
| C30 | C32 | H6 | H7 | 120.0° | 120.0° |
| C32 | C30 | C33 | H8 | 180.0° | 180.0° |
| C32 | C30 | C33 | H9 | 60.0° | 60.1° |
| C32 | C30 | C33 | H10 | 60.0° | 60.0° |
| C12 | C13 | N20 | C14 | 122.4° | 118.7° |
| C12 | C13 | N20 | H24 | 118.9° | 122.5° |
| C12 | C13 | C14 | H24 | 126.2° | 122.4° |
| C12 | C13 | N20 | C21 | 77.7° | 100.8° |
| C12 | C13 | N20 | C19 | 102.5° | 78.9° |
| C12 | C13 | C14 | C16 | 167.6° | 158.3° |
| C12 | C13 | C14 | C15 | 101.9° | 94.8° |
| C12 | C13 | C14 | H25 | 27.4° | 46.2° |
| C13 | C12 | N11 | H33 | 0.8° | 0.1° |
| O36 | C12 | C13 | N20 | 46.5° | 18.5° |
| O36 | C12 | C13 | C14 | 68.4° | 96.7° |
| O36 | C12 | C13 | H24 | 165.3° | 141.0° |
| O36 | C12 | N11 | H33 | 175.3° | 180.0° |
| N20 | C13 | C14 | H24 | 118.4° | 118.8° |
| C13 | N20 | C21 | C19 | 179.8° | 179.7° |
| C13 | N20 | C21 | C22 | 176.7° | 175.6° |
| N20 | C13 | C14 | C16 | 52.2° | 39.5° |
| N20 | C13 | C14 | C15 | 13.6° | 24.0° |
| C13 | N20 | C19 | C15 | 17.5° | 39.9° |
| C13 | N20 | C19 | H22 | 136.9° | 158.6° |
| C13 | N20 | C19 | H23 | 101.8° | 78.9° |
| N20 | C13 | C14 | H25 | 142.9° | 164.9° |
| C14 | C13 | N20 | C21 | 159.9° | 140.4° |
| C13 | C14 | C16 | C17 | 18.4° | 16.1° |
| C14 | C13 | N20 | C19 | 19.9° | 39.8° |
| C13 | C14 | C16 | C15 | 90.0° | 91.5° |
| C13 | C14 | C16 | H25 | 165.1° | 155.1° |
| C13 | C14 | C15 | H25 | 130.1° | 138.2° |
| C13 | C14 | C16 | C18 | 159.4° | 160.8° |
| C13 | C14 | C15 | C19 | 3.7° | 0.0° |
| C13 | C14 | C15 | H26 | 128.7° | 136.8° |
| C25 | C23 | C22 | C21 | 64.7° | 62.6° |
| C25 | C23 | C22 | N27 | 55.7° | 177.3° |
| C25 | C23 | C22 | C24 | 120.7° | 120.0° |
| C25 | C23 | C22 | C26 | 121.1° | 120.0° |
| C25 | C23 | C24 | C26 | 118.3° | 120.0° |
| C25 | C23 | C22 | H12 | 177.5° | 57.4° |
| C25 | C23 | C24 | H13 | 180.0° | 60.0° |
| C25 | C23 | C24 | H14 | 60.0° | 60.0° |
| C25 | C23 | C24 | H15 | 60.0° | 180.0° |
| C23 | C25 | H16 | H17 | 120.0° | 120.0° |
| C23 | C25 | H16 | H18 | 120.0° | 120.0° |
| C23 | C25 | H17 | H18 | 120.0° | 120.0° |
| C25 | C23 | C26 | H19 | 180.0° | 180.0° |
| C25 | C23 | C26 | H20 | 60.0° | 60.1° |
| C25 | C23 | C26 | H21 | 60.0° | 60.0° |
| N20 | C21 | C22 | N27 | 129.0° | 152.1° |
| N20 | C21 | C22 | C23 | 106.7° | 87.8° |
| C21 | N20 | C19 | C15 | 162.3° | 140.4° |
| N20 | C21 | C22 | H12 | 10.8° | 32.2° |
| C21 | N20 | C19 | H22 | 42.9° | 21.6° |
| C21 | N20 | C19 | H23 | 78.4° | 100.8° |
| C21 | N20 | C13 | H24 | 41.2° | 21.6° |
| C21 | C22 | N27 | C28 | 121.1° | 155.0° |
| C21 | C22 | N27 | C23 | 121.8° | 120.0° |
| C21 | C22 | N27 | H12 | 117.3° | 120.0° |
| C22 | C21 | N20 | C19 | 3.5° | 4.1° |
| C21 | C22 | C23 | H12 | 117.8° | 120.0° |
| C21 | C22 | C23 | C24 | 56.0° | 57.4° |
| C21 | C22 | C23 | C26 | 174.2° | 177.4° |
| C21 | C22 | N27 | H11 | 58.9° | 25.1° |
| C30 | N29 | C28 | H1 | 180.0° | 179.9° |
| C30 | N29 | C28 | N27 | 172.9° | 179.7° |
| N29 | C30 | C31 | C33 | 122.3° | 119.9° |
| C30 | N29 | C28 | O34 | 14.8° | 0.1° |
| N29 | C30 | C31 | H2 | 68.7° | 60.0° |
| N29 | C30 | C31 | H3 | 51.3° | 180.0° |
| N29 | C30 | C31 | H4 | 171.3° | 60.0° |
| N29 | C30 | C32 | H5 | 180.0° | 60.0° |
| N29 | C30 | C32 | H6 | 60.0° | 180.0° |
| N29 | C30 | C32 | H7 | 60.0° | 60.0° |
| N29 | C30 | C33 | H8 | 60.7° | 60.0° |
| N29 | C30 | C33 | H9 | 179.2° | 179.9° |
| N29 | C30 | C33 | H10 | 59.3° | 60.0° |
| N29 | C28 | N27 | O34 | 172.6° | 179.8° |
| N29 | C28 | N27 | C22 | 178.7° | 179.7° |
| C28 | N29 | C30 | C31 | 67.8° | 180.0° |
| C28 | N29 | C30 | C33 | 51.0° | 60.1° |
| N29 | C28 | N27 | H11 | 1.3° | 0.2° |
| C28 | N27 | C22 | H11 | 180.0° | 179.9° |
| C28 | N27 | C22 | C23 | 117.1° | 84.9° |
| N27 | C28 | N29 | H1 | 7.1° | 0.2° |
| C28 | N27 | C22 | H12 | 3.8° | 35.1° |
| C22 | N27 | C28 | O34 | 6.1° | 0.1° |
| N27 | C22 | C23 | H12 | 121.8° | 120.0° |
| N27 | C22 | C23 | C24 | 176.4° | 62.6° |
| N27 | C22 | C23 | C26 | 65.4° | 57.4° |
| C31 | C30 | N29 | H1 | 112.2° | 0.1° |
| C30 | C31 | H2 | H3 | 120.0° | 120.0° |
| C30 | C31 | H2 | H4 | 120.0° | 120.0° |
| C30 | C31 | H3 | H4 | 120.0° | 120.0° |
| C31 | C30 | C32 | H5 | 69.5° | 180.0° |
| C31 | C30 | C32 | H6 | 50.6° | 60.0° |
| C31 | C30 | C32 | H7 | 170.5° | 60.0° |
| C31 | C30 | C33 | H8 | 54.3° | 60.0° |
| C31 | C30 | C33 | H9 | 65.7° | 60.0° |
| C31 | C30 | C33 | H10 | 174.3° | 180.0° |
| C17 | C16 | C14 | C18 | 141.0° | 144.8° |
| C17 | C16 | C14 | C15 | 108.4° | 107.6° |
| C17 | C16 | C18 | C15 | 150.6° | 145.2° |
| C17 | C16 | C15 | C19 | 13.5° | 16.5° |
| C17 | C16 | C14 | H25 | 146.7° | 139.0° |
| C17 | C16 | C15 | H26 | 150.3° | 141.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H29 | 120.0° | 120.0° |
| C16 | C17 | H28 | H29 | 120.0° | 120.0° |
| C17 | C16 | C18 | H30 | 180.0° | 85.5° |
| C17 | C16 | C18 | H31 | 60.0° | 34.6° |
| C17 | C16 | C18 | H32 | 60.0° | 154.6° |
| C33 | C30 | N29 | H1 | 129.0° | 120.0° |
| C33 | C30 | C31 | H2 | 53.7° | 180.0° |
| C33 | C30 | C31 | H3 | 173.6° | 60.0° |
| C33 | C30 | C31 | H4 | 66.3° | 60.0° |
| C33 | C30 | C32 | H5 | 54.9° | 60.0° |
| C33 | C30 | C32 | H6 | 174.9° | 60.0° |
| C33 | C30 | C32 | H7 | 65.2° | 180.0° |
| C30 | C33 | H8 | H9 | 120.0° | 119.9° |
| C30 | C33 | H8 | H10 | 120.0° | 120.0° |
| C30 | C33 | H9 | H10 | 120.0° | 120.0° |
| N20 | C19 | C15 | C14 | 8.2° | 24.0° |
| N20 | C19 | C15 | C16 | 55.9° | 39.0° |
| N20 | C19 | C15 | H22 | 119.3° | 118.8° |
| N20 | C19 | C15 | H23 | 119.3° | 118.8° |
| N20 | C19 | H22 | H23 | 121.9° | 122.4° |
| C19 | N20 | C13 | H24 | 138.7° | 158.6° |
| N20 | C19 | C15 | H26 | 140.4° | 162.9° |
| C16 | C14 | C15 | H25 | 105.3° | 107.6° |
| C14 | C16 | C18 | C15 | 69.7° | 69.4° |
| C14 | C16 | C15 | C19 | 89.7° | 91.2° |
| C16 | C14 | C13 | H24 | 66.2° | 79.3° |
| C16 | C14 | C15 | H26 | 106.6° | 109.0° |
| C14 | C16 | C17 | H27 | 180.0° | 60.0° |
| C14 | C16 | C17 | H28 | 60.0° | 180.0° |
| C14 | C16 | C17 | H29 | 60.0° | 60.0° |
| C14 | C16 | C18 | H30 | 40.3° | 60.0° |
| C14 | C16 | C18 | H31 | 79.7° | 180.0° |
| C14 | C16 | C18 | H32 | 160.3° | 60.0° |
| C14 | C15 | C19 | H26 | 132.2° | 138.9° |
| C14 | C15 | C19 | H22 | 127.6° | 142.8° |
| C14 | C15 | C19 | H23 | 111.1° | 94.8° |
| C15 | C14 | C13 | H24 | 132.0° | 142.8° |
| O34 | C28 | N29 | H1 | 165.2° | 180.0° |
| O34 | C28 | N27 | H11 | 174.0° | 180.0° |
| C22 | C23 | C24 | C26 | 117.1° | 120.0° |
| C23 | C22 | N27 | H11 | 62.9° | 95.0° |
| C22 | C23 | C24 | H13 | 55.4° | 60.0° |
| C22 | C23 | C24 | H14 | 175.4° | 180.0° |
| C22 | C23 | C24 | H15 | 64.6° | 60.0° |
| C22 | C23 | C25 | H16 | 180.0° | 56.4° |
| C22 | C23 | C25 | H17 | 60.0° | 176.4° |
| C22 | C23 | C25 | H18 | 60.0° | 63.6° |
| C22 | C23 | C26 | H19 | 56.2° | 60.0° |
| C22 | C23 | C26 | H20 | 63.8° | 179.9° |
| C22 | C23 | C26 | H21 | 176.2° | 60.0° |
| C18 | C16 | C15 | C19 | 164.2° | 161.0° |
| C18 | C16 | C14 | H25 | 5.7° | 5.7° |
| C18 | C16 | C15 | H26 | 0.4° | 3.6° |
| C18 | C16 | C17 | H27 | 38.9° | 154.6° |
| C18 | C16 | C17 | H28 | 81.1° | 34.6° |
| C18 | C16 | C17 | H29 | 159.0° | 85.4° |
| C16 | C18 | H30 | H31 | 120.0° | 120.1° |
| C16 | C18 | H30 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| C16 | C15 | C19 | H26 | 163.7° | 158.1° |
| C16 | C15 | C19 | H22 | 63.5° | 79.8° |
| C16 | C15 | C19 | H23 | 175.2° | 157.7° |
| C15 | C16 | C17 | H27 | 112.6° | 9.3° |
| C15 | C16 | C17 | H28 | 127.4° | 110.7° |
| C15 | C16 | C17 | H29 | 7.4° | 129.3° |
| C15 | C16 | C18 | H30 | 29.4° | 129.3° |
| C15 | C16 | C18 | H31 | 149.4° | 110.6° |
| C15 | C16 | C18 | H32 | 90.6° | 9.4° |
| C24 | C23 | C22 | H12 | 61.8° | 177.4° |
| C23 | C24 | H13 | H14 | 120.0° | 120.0° |
| C23 | C24 | H13 | H15 | 120.0° | 120.1° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| C24 | C23 | C25 | H16 | 57.5° | 176.4° |
| C24 | C23 | C25 | H17 | 177.5° | 63.6° |
| C24 | C23 | C25 | H18 | 62.5° | 56.4° |
| C24 | C23 | C26 | H19 | 63.1° | 60.0° |
| C24 | C23 | C26 | H20 | 176.8° | 60.0° |
| C24 | C23 | C26 | H21 | 56.9° | 179.9° |
| C26 | C23 | C22 | H12 | 56.4° | 62.6° |
| C26 | C23 | C24 | H13 | 61.8° | 180.0° |
| C26 | C23 | C24 | H14 | 58.3° | 60.0° |
| C26 | C23 | C24 | H15 | 178.3° | 60.0° |
| C26 | C23 | C25 | H16 | 60.2° | 63.6° |
| C26 | C23 | C25 | H17 | 59.7° | 56.4° |
| C26 | C23 | C25 | H18 | 179.7° | 176.4° |
| C23 | C26 | H19 | H20 | 120.0° | 120.0° |
| C23 | C26 | H19 | H21 | 120.0° | 120.0° |
| C23 | C26 | H20 | H21 | 120.0° | 120.1° |
| C15 | C19 | H22 | H23 | 121.9° | 122.4° |
| C19 | C15 | C14 | H25 | 133.8° | 138.2° |
| H2 | C31 | H3 | H4 | 120.0° | 120.0° |
| H5 | C32 | H6 | H7 | 120.0° | 120.1° |
| H8 | C33 | H9 | H10 | 119.9° | 120.1° |
| H11 | N27 | C22 | H12 | 176.2° | 145.0° |
| H13 | C24 | H14 | H15 | 120.0° | 120.0° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C19 | C15 | H26 | 100.2° | 78.3° |
| H23 | C19 | C15 | H26 | 21.1° | 44.1° |
| H24 | C13 | C14 | H25 | 98.7° | 76.2° |
| H25 | C14 | C15 | H26 | 1.3° | 1.5° |
| H27 | C17 | H28 | H29 | 120.0° | 119.9° |
| H30 | C18 | H31 | H32 | 120.0° | 119.9° |
| H33 | N11 | C05 | H34 | 175.8° | 145.1° |
| H34 | C05 | C06 | H35 | 82.1° | 175.0° |
| H34 | C05 | C06 | H36 | 156.1° | 65.0° |
| H34 | C05 | C03 | H45 | 178.1° | 60.1° |
| H35 | C06 | C07 | H37 | 173.2° | 163.8° |
| H36 | C06 | C07 | H37 | 51.4° | 76.2° |
| H37 | C07 | C10 | H38 | 155.0° | 156.2° |
| H37 | C07 | C10 | H39 | 26.8° | 25.4° |
| H37 | C07 | C08 | H40 | 27.4° | 25.5° |
| H37 | C07 | C08 | H41 | 155.0° | 156.3° |
| H38 | C10 | C09 | H42 | 148.9° | 25.4° |
| H38 | C10 | C09 | H43 | 21.1° | 156.3° |
| H39 | C10 | C09 | H42 | 20.7° | 105.5° |
| H39 | C10 | C09 | H43 | 107.1° | 25.4° |
| H40 | C08 | C09 | H42 | 21.9° | 105.5° |
| H40 | C08 | C09 | H43 | 106.0° | 25.4° |
| H41 | C08 | C09 | H42 | 149.5° | 25.4° |
| H41 | C08 | C09 | H43 | 21.7° | 156.3° |
| H44 | O04 | C03 | H45 | 67.7° | 180.0° |
