A1CR4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S07 | C06 | sing | 1.81Å | 1.82Å | |
| S07 | C08 | sing | 1.81Å | 1.83Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| O15 | C10 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.51Å | 1.55Å | |
| C09 | C04 | sing | 1.53Å | 1.54Å | |
| C09 | O16 | sing | 1.43Å | 1.41Å | |
| C10 | N11 | sing | 1.35Å | 1.47Å | |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| O35 | C24 | doub | 1.21Å | 1.19Å | |
| N11 | C12 | sing | 1.46Å | 1.47Å | |
| C33 | O32 | sing | 1.45Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C02 | C17 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.54Å | 1.35Å | |
| C17 | N23 | sing | 1.49Å | 1.60Å | |
| C28 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | N23 | sing | 1.35Å | 1.48Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| N30 | C31 | sing | 1.35Å | 1.47Å | |
| N30 | C25 | sing | 1.46Å | 1.45Å | |
| O32 | C31 | sing | 1.35Å | 1.41Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C31 | O34 | doub | 1.22Å | 1.18Å | |
| C18 | C19 | sing | 1.57Å | 1.55Å | |
| C18 | C21 | sing | 1.54Å | 1.55Å | |
| N23 | C22 | sing | 1.48Å | 1.33Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C29 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C19 | C36 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.54Å | 1.55Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| N03 | H15 | sing | 0.97Å | 1.00Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| N11 | H25 | sing | 0.97Å | 1.00Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| O16 | H28 | sing | 0.97Å | 0.95Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| N30 | H36 | sing | 0.97Å | 1.00Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | S07 | C08 | 106.5° | 103.0° |
| S07 | C06 | C05 | 109.0° | 109.5° |
| S07 | C06 | H19 | 109.6° | 109.5° |
| S07 | C06 | H20 | 109.6° | 109.5° |
| S07 | C08 | H21 | 109.5° | 109.5° |
| S07 | C08 | H22 | 109.5° | 109.5° |
| S07 | C08 | H23 | 109.5° | 109.4° |
| C06 | C05 | C04 | 114.3° | 109.5° |
| C06 | C05 | H17 | 108.2° | 109.5° |
| C06 | C05 | H18 | 108.2° | 109.5° |
| C05 | C06 | H19 | 109.6° | 109.4° |
| C05 | C06 | H20 | 109.6° | 109.5° |
| C05 | C04 | C09 | 111.4° | 109.5° |
| C05 | C04 | N03 | 112.1° | 109.4° |
| C05 | C04 | H16 | 108.7° | 109.5° |
| C04 | C05 | H17 | 108.3° | 109.5° |
| C04 | C05 | H18 | 108.3° | 109.5° |
| O15 | C10 | C09 | 122.3° | 120.0° |
| O15 | C10 | N11 | 122.2° | 120.0° |
| C10 | C09 | C04 | 118.2° | 109.5° |
| C10 | C09 | O16 | 109.3° | 109.5° |
| C09 | C10 | N11 | 115.5° | 120.0° |
| C10 | C09 | H24 | 104.8° | 109.5° |
| C04 | C09 | O16 | 112.3° | 109.5° |
| C09 | C04 | N03 | 106.2° | 109.4° |
| C09 | C04 | H16 | 108.7° | 109.5° |
| C04 | C09 | H24 | 104.9° | 109.4° |
| O16 | C09 | H24 | 106.3° | 109.5° |
| C09 | O16 | H28 | 109.5° | 114.0° |
| C10 | N11 | C12 | 123.7° | 120.0° |
| C10 | N11 | H25 | 118.1° | 120.0° |
| C04 | N03 | C02 | 121.5° | 120.0° |
| C04 | N03 | H15 | 119.2° | 120.0° |
| N03 | C04 | H16 | 109.7° | 109.5° |
| N03 | C02 | C17 | 118.0° | 120.0° |
| N03 | C02 | O01 | 122.1° | 120.0° |
| C02 | N03 | H15 | 119.3° | 120.0° |
| O35 | C24 | N23 | 118.7° | 120.0° |
| O35 | C24 | C25 | 122.6° | 120.0° |
| N11 | C12 | C13 | 116.5° | 117.5° |
| N11 | C12 | C14 | 113.4° | 117.5° |
| N11 | C12 | H1 | 118.8° | 115.6° |
| C12 | N11 | H25 | 118.1° | 120.0° |
| C33 | O32 | C31 | 116.0° | 117.0° |
| O32 | C33 | H37 | 109.5° | 109.5° |
| O32 | C33 | H38 | 109.5° | 109.4° |
| O32 | C33 | H39 | 109.5° | 109.4° |
| C13 | C12 | C14 | 59.7° | 60.0° |
| C12 | C13 | C14 | 60.1° | 60.0° |
| C13 | C12 | H1 | 117.4° | 117.5° |
| C12 | C13 | H26 | 120.0° | 117.5° |
| C12 | C13 | H27 | 120.0° | 117.5° |
| C12 | C14 | C13 | 60.2° | 60.0° |
| C14 | C12 | H1 | 117.4° | 117.4° |
| C12 | C14 | H2 | 120.0° | 117.6° |
| C12 | C14 | H3 | 120.0° | 117.5° |
| C17 | C02 | O01 | 119.9° | 120.0° |
| C02 | C17 | C18 | 115.3° | 110.4° |
| C02 | C17 | N23 | 108.9° | 110.7° |
| C02 | C17 | H10 | 108.3° | 110.4° |
| C18 | C17 | N23 | 105.5° | 104.4° |
| C17 | C18 | C19 | 141.3° | 118.1° |
| C17 | C18 | C21 | 107.7° | 105.3° |
| C18 | C17 | H10 | 111.0° | 110.4° |
| C17 | C18 | H29 | 110.7° | 117.6° |
| C17 | N23 | C24 | 123.8° | 127.9° |
| C17 | N23 | C22 | 109.0° | 104.6° |
| N23 | C17 | H10 | 107.6° | 110.3° |
| C28 | C26 | C25 | 112.7° | 109.5° |
| C28 | C26 | C29 | 108.4° | 109.5° |
| C28 | C26 | C27 | 109.2° | 109.5° |
| C26 | C28 | H12 | 109.5° | 109.5° |
| C26 | C28 | H13 | 109.5° | 109.4° |
| C26 | C28 | H14 | 109.5° | 109.5° |
| N23 | C24 | C25 | 118.8° | 120.0° |
| C24 | N23 | C22 | 127.2° | 127.5° |
| C24 | C25 | N30 | 107.6° | 109.5° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C24 | C25 | H11 | 107.7° | 109.5° |
| C31 | N30 | C25 | 119.0° | 120.0° |
| N30 | C31 | O32 | 119.8° | 120.0° |
| N30 | C31 | O34 | 120.0° | 120.0° |
| C31 | N30 | H36 | 120.5° | 120.0° |
| N30 | C25 | C26 | 112.9° | 109.5° |
| N30 | C25 | H11 | 108.8° | 109.5° |
| C25 | N30 | H36 | 120.5° | 120.0° |
| O32 | C31 | O34 | 120.2° | 120.1° |
| C20 | C19 | C18 | 113.0° | 117.4° |
| C20 | C19 | C36 | 120.1° | 115.5° |
| C20 | C19 | C21 | 114.7° | 117.7° |
| C19 | C20 | H4 | 109.5° | 109.4° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C18 | C21 | 59.9° | 58.8° |
| C18 | C19 | C36 | 117.9° | 117.5° |
| C18 | C19 | C21 | 60.2° | 59.7° |
| C19 | C18 | H29 | 108.0° | 119.6° |
| C18 | C21 | C19 | 59.9° | 61.5° |
| C18 | C21 | C22 | 105.6° | 105.0° |
| C18 | C21 | H7 | 112.0° | 121.8° |
| C21 | C18 | H29 | 107.9° | 123.3° |
| N23 | C22 | C21 | 105.7° | 104.6° |
| N23 | C22 | H8 | 110.4° | 110.4° |
| N23 | C22 | H9 | 110.4° | 110.5° |
| C13 | C14 | H2 | 120.0° | 117.5° |
| C13 | C14 | H3 | 120.0° | 117.5° |
| C14 | C13 | H26 | 120.0° | 117.5° |
| C14 | C13 | H27 | 120.0° | 117.5° |
| C25 | C26 | C29 | 110.7° | 109.5° |
| C25 | C26 | C27 | 107.2° | 109.5° |
| C26 | C25 | H11 | 107.5° | 109.4° |
| C29 | C26 | C27 | 108.5° | 109.4° |
| C26 | C29 | H33 | 109.5° | 109.4° |
| C26 | C29 | H34 | 109.5° | 109.5° |
| C26 | C29 | H35 | 109.4° | 109.5° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C26 | C27 | H31 | 109.5° | 109.5° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C36 | C19 | C21 | 116.7° | 117.7° |
| C19 | C36 | H40 | 109.5° | 109.4° |
| C19 | C36 | H41 | 109.5° | 109.5° |
| C19 | C36 | H42 | 109.5° | 109.5° |
| C19 | C21 | C22 | 135.6° | 118.1° |
| C19 | C21 | H7 | 112.1° | 119.5° |
| C22 | C21 | H7 | 112.1° | 117.7° |
| C21 | C22 | H8 | 110.4° | 110.4° |
| C21 | C22 | H9 | 110.4° | 110.4° |
| H2 | C14 | H3 | 109.5° | 115.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H4 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 110.3° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H12 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.4° | 109.5° |
| H17 | C05 | H18 | 109.5° | 109.5° |
| H19 | C06 | H20 | 109.5° | 109.5° |
| H21 | C08 | H22 | 109.4° | 109.5° |
| H21 | C08 | H23 | 109.5° | 109.5° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 115.6° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H30 | C27 | H32 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H33 | C29 | H35 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.5° | 109.5° |
| H37 | C33 | H39 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H42 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S07 | C06 | C05 | H19 | 119.9° | 120.0° |
| S07 | C06 | C05 | H20 | 119.9° | 120.0° |
| S07 | C06 | C05 | C04 | 159.3° | 180.0° |
| S07 | C06 | C05 | H17 | 38.5° | 60.0° |
| S07 | C06 | C05 | H18 | 80.1° | 60.0° |
| S07 | C06 | H19 | H20 | 120.2° | 120.1° |
| C06 | S07 | C08 | H21 | 180.0° | 60.0° |
| C06 | S07 | C08 | H22 | 60.0° | 60.0° |
| C06 | S07 | C08 | H23 | 60.0° | 180.0° |
| C08 | S07 | C06 | C05 | 63.7° | 180.0° |
| C08 | S07 | C06 | H19 | 176.4° | 60.0° |
| C08 | S07 | C06 | H20 | 56.2° | 60.0° |
| S07 | C08 | H21 | H22 | 120.0° | 120.0° |
| S07 | C08 | H21 | H23 | 120.0° | 120.0° |
| S07 | C08 | H22 | H23 | 120.0° | 119.9° |
| C06 | C05 | C04 | H17 | 120.7° | 120.0° |
| C06 | C05 | C04 | H18 | 120.7° | 120.0° |
| C06 | C05 | C04 | C09 | 131.5° | 175.0° |
| C06 | C05 | C04 | N03 | 12.7° | 65.0° |
| C06 | C05 | C04 | H16 | 108.8° | 55.0° |
| C06 | C05 | H17 | H18 | 117.8° | 120.0° |
| C05 | C06 | H19 | H20 | 120.3° | 119.9° |
| C05 | C04 | C09 | C10 | 65.2° | 180.0° |
| C05 | C04 | C09 | N03 | 122.4° | 120.0° |
| C05 | C04 | C09 | H16 | 119.7° | 120.0° |
| C05 | C04 | C09 | O16 | 166.0° | 60.0° |
| C05 | C04 | N03 | H16 | 120.9° | 120.0° |
| C05 | C04 | N03 | C02 | 145.7° | 85.0° |
| C05 | C04 | N03 | H15 | 34.3° | 95.0° |
| C04 | C05 | H17 | H18 | 117.8° | 120.0° |
| C04 | C05 | C06 | H19 | 80.8° | 60.0° |
| C04 | C05 | C06 | H20 | 39.3° | 60.0° |
| C05 | C04 | C09 | H24 | 51.0° | 60.0° |
| O15 | C10 | C09 | N11 | 178.8° | 179.7° |
| O15 | C10 | C09 | C04 | 75.7° | 115.3° |
| O15 | C10 | C09 | O16 | 154.2° | 4.7° |
| O15 | C10 | N11 | C12 | 1.5° | 0.0° |
| O15 | C10 | C09 | H24 | 40.6° | 124.7° |
| O15 | C10 | N11 | H25 | 178.5° | 180.0° |
| C10 | C09 | C04 | O16 | 128.8° | 120.0° |
| C10 | C09 | C04 | H24 | 116.2° | 120.0° |
| C10 | C09 | O16 | H24 | 112.6° | 120.0° |
| C10 | C09 | C04 | N03 | 172.4° | 60.0° |
| C09 | C10 | N11 | C12 | 179.7° | 179.7° |
| C10 | C09 | C04 | H16 | 54.5° | 60.0° |
| C09 | C10 | N11 | H25 | 0.3° | 0.3° |
| C10 | C09 | O16 | H28 | 180.0° | 60.0° |
| C04 | C09 | O16 | H24 | 114.1° | 119.9° |
| C04 | C09 | C10 | N11 | 105.6° | 65.0° |
| C09 | C04 | N03 | H16 | 117.2° | 120.0° |
| C09 | C04 | N03 | C02 | 92.4° | 155.0° |
| C09 | C04 | N03 | H15 | 87.6° | 25.0° |
| C09 | C04 | C05 | H17 | 107.8° | 65.0° |
| C09 | C04 | C05 | H18 | 10.9° | 55.0° |
| C04 | C09 | O16 | H28 | 46.7° | 60.0° |
| O16 | C09 | C10 | N11 | 24.6° | 175.0° |
| O16 | C09 | C04 | N03 | 43.6° | 60.0° |
| O16 | C09 | C04 | H16 | 74.3° | 180.0° |
| C10 | N11 | C12 | H25 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 107.0° | 155.0° |
| C10 | N11 | C12 | C14 | 173.5° | 136.3° |
| C10 | N11 | C12 | H1 | 42.4° | 9.3° |
| N11 | C10 | C09 | H24 | 138.2° | 55.0° |
| C04 | N03 | C02 | H15 | 180.0° | 180.0° |
| C04 | N03 | C02 | C17 | 179.5° | 180.0° |
| C04 | N03 | C02 | O01 | 1.4° | 0.0° |
| N03 | C04 | C05 | H17 | 133.4° | 55.0° |
| N03 | C04 | C05 | H18 | 108.0° | 175.0° |
| N03 | C04 | C09 | H24 | 71.3° | 179.9° |
| N03 | C02 | C17 | O01 | 179.1° | 179.9° |
| N03 | C02 | C17 | C18 | 128.0° | 80.0° |
| N03 | C02 | C17 | N23 | 113.7° | 164.9° |
| N03 | C02 | C17 | H10 | 3.0° | 42.4° |
| C02 | N03 | C04 | H16 | 24.8° | 35.0° |
| O35 | C24 | N23 | C17 | 0.4° | 3.6° |
| O35 | C24 | N23 | C25 | 180.0° | 180.0° |
| O35 | C24 | C25 | N30 | 51.9° | 27.2° |
| O35 | C24 | N23 | C22 | 179.9° | 175.7° |
| O35 | C24 | C25 | C26 | 72.8° | 92.7° |
| O35 | C24 | C25 | H11 | 169.1° | 147.3° |
| N11 | C12 | C13 | C14 | 102.9° | 107.5° |
| N11 | C12 | C13 | H1 | 149.8° | 145.1° |
| N11 | C12 | C14 | H1 | 144.6° | 145.0° |
| N11 | C12 | C14 | H2 | 142.4° | 145.0° |
| N11 | C12 | C14 | H3 | 1.5° | 0.0° |
| N11 | C12 | C13 | H26 | 6.6° | 0.0° |
| N11 | C12 | C13 | H27 | 147.6° | 145.0° |
| C33 | O32 | C31 | N30 | 127.5° | 180.0° |
| C33 | O32 | C31 | O34 | 53.2° | 0.1° |
| O32 | C33 | H37 | H38 | 120.0° | 119.9° |
| O32 | C33 | H37 | H39 | 120.0° | 120.0° |
| O32 | C33 | H38 | H39 | 120.0° | 119.9° |
| C13 | C12 | C14 | H1 | 107.3° | 107.5° |
| C12 | C13 | C14 | H26 | 109.5° | 107.5° |
| C12 | C13 | C14 | H27 | 109.5° | 107.5° |
| C13 | C12 | C14 | H2 | 109.5° | 107.5° |
| C13 | C12 | C14 | H3 | 109.5° | 107.5° |
| C13 | C12 | N11 | H25 | 73.0° | 25.0° |
| C12 | C13 | H26 | H27 | 144.6° | 145.7° |
| C12 | C14 | H2 | H3 | 144.6° | 145.7° |
| C14 | C12 | N11 | H25 | 6.5° | 43.6° |
| C02 | C17 | C18 | N23 | 120.1° | 119.0° |
| C02 | C17 | C18 | H10 | 123.6° | 122.4° |
| C02 | C17 | N23 | H10 | 117.2° | 122.5° |
| C02 | C17 | N23 | C24 | 83.4° | 100.8° |
| C02 | C17 | C18 | C19 | 165.8° | 158.3° |
| C02 | C17 | C18 | C21 | 102.2° | 95.8° |
| C02 | C17 | N23 | C22 | 97.0° | 79.8° |
| C17 | C02 | N03 | H15 | 0.5° | 0.0° |
| C02 | C17 | C18 | H29 | 15.6° | 45.9° |
| O01 | C02 | C17 | C18 | 52.8° | 100.0° |
| O01 | C02 | C17 | N23 | 65.5° | 15.1° |
| O01 | C02 | C17 | H10 | 177.9° | 137.6° |
| O01 | C02 | N03 | H15 | 178.6° | 180.0° |
| C18 | C17 | N23 | H10 | 118.5° | 118.7° |
| C18 | C17 | N23 | C24 | 152.3° | 140.4° |
| C17 | C18 | C19 | C20 | 25.5° | 16.1° |
| C17 | C18 | C19 | C21 | 80.7° | 91.5° |
| C17 | C18 | C19 | H29 | 178.6° | 155.3° |
| C17 | C18 | C21 | H29 | 119.6° | 139.0° |
| C18 | C17 | N23 | C22 | 27.3° | 39.0° |
| C17 | C18 | C19 | C36 | 172.9° | 160.9° |
| C17 | C18 | C21 | C22 | 5.6° | 0.3° |
| C17 | C18 | C21 | H7 | 116.7° | 137.3° |
| C17 | N23 | C24 | C22 | 179.5° | 179.3° |
| C17 | N23 | C24 | C25 | 179.7° | 176.4° |
| N23 | C17 | C18 | C19 | 45.7° | 39.2° |
| N23 | C17 | C18 | C21 | 17.9° | 23.3° |
| C17 | N23 | C22 | C21 | 22.6° | 39.3° |
| C17 | N23 | C22 | H8 | 142.0° | 79.5° |
| C17 | N23 | C22 | H9 | 96.8° | 158.2° |
| N23 | C17 | C18 | H29 | 135.7° | 165.0° |
| C28 | C26 | C25 | C24 | 81.5° | 180.0° |
| C28 | C26 | C25 | N30 | 40.3° | 60.0° |
| C28 | C26 | C25 | C29 | 121.6° | 120.0° |
| C28 | C26 | C25 | C27 | 120.3° | 120.0° |
| C28 | C26 | C29 | C27 | 118.5° | 120.0° |
| C28 | C26 | C25 | H11 | 160.3° | 60.0° |
| C26 | C28 | H12 | H13 | 120.0° | 119.9° |
| C26 | C28 | H12 | H14 | 120.0° | 120.0° |
| C26 | C28 | H13 | H14 | 120.0° | 120.0° |
| C28 | C26 | C27 | H30 | 180.0° | 180.0° |
| C28 | C26 | C27 | H31 | 60.0° | 60.0° |
| C28 | C26 | C27 | H32 | 60.0° | 60.0° |
| C28 | C26 | C29 | H33 | 180.0° | 56.8° |
| C28 | C26 | C29 | H34 | 60.0° | 63.1° |
| C28 | C26 | C29 | H35 | 60.0° | 176.8° |
| N23 | C24 | C25 | N30 | 128.1° | 152.8° |
| N23 | C24 | C25 | C26 | 107.1° | 87.2° |
| C24 | N23 | C22 | C21 | 157.0° | 140.1° |
| C24 | N23 | C22 | H8 | 37.6° | 101.1° |
| C24 | N23 | C22 | H9 | 83.6° | 21.2° |
| C24 | N23 | C17 | H10 | 33.7° | 21.8° |
| N23 | C24 | C25 | H11 | 11.0° | 32.8° |
| C24 | C25 | N30 | C31 | 102.9° | 155.1° |
| C24 | C25 | N30 | C26 | 124.4° | 120.0° |
| C24 | C25 | N30 | H11 | 116.4° | 120.0° |
| C25 | C24 | N23 | C22 | 0.2° | 4.4° |
| C24 | C25 | C26 | H11 | 118.2° | 120.0° |
| C24 | C25 | C26 | C29 | 40.1° | 59.9° |
| C24 | C25 | C26 | C27 | 158.2° | 60.0° |
| C24 | C25 | N30 | H36 | 77.1° | 25.0° |
| C31 | N30 | C25 | H36 | 180.0° | 179.9° |
| N30 | C31 | O32 | O34 | 179.3° | 179.8° |
| C31 | N30 | C25 | C26 | 132.7° | 84.9° |
| C31 | N30 | C25 | H11 | 13.5° | 35.0° |
| C25 | N30 | C31 | O32 | 154.6° | 179.9° |
| C25 | N30 | C31 | O34 | 24.6° | 0.1° |
| N30 | C25 | C26 | H11 | 120.0° | 120.0° |
| N30 | C25 | C26 | C29 | 161.8° | 179.9° |
| N30 | C25 | C26 | C27 | 80.0° | 60.0° |
| O32 | C31 | N30 | H36 | 25.4° | 0.1° |
| C31 | O32 | C33 | H37 | 180.0° | 59.9° |
| C31 | O32 | C33 | H38 | 60.0° | 60.1° |
| C31 | O32 | C33 | H39 | 60.0° | 180.0° |
| C20 | C19 | C18 | C36 | 147.4° | 144.7° |
| C20 | C19 | C18 | C21 | 106.2° | 107.7° |
| C20 | C19 | C36 | C21 | 146.3° | 146.3° |
| C20 | C19 | C21 | C22 | 21.9° | 14.7° |
| C19 | C20 | H4 | H5 | 120.0° | 120.0° |
| C19 | C20 | H4 | H6 | 120.0° | 120.0° |
| C19 | C20 | H5 | H6 | 120.0° | 120.1° |
| C20 | C19 | C21 | H7 | 153.1° | 140.4° |
| C20 | C19 | C18 | H29 | 153.1° | 139.2° |
| C20 | C19 | C36 | H40 | 180.0° | 34.4° |
| C20 | C19 | C36 | H41 | 60.0° | 154.4° |
| C20 | C19 | C36 | H42 | 60.0° | 85.6° |
| O34 | C31 | N30 | H36 | 155.4° | 180.0° |
| C19 | C18 | C21 | H29 | 100.8° | 107.1° |
| C18 | C19 | C36 | C21 | 68.7° | 68.3° |
| C18 | C19 | C21 | C22 | 81.6° | 92.5° |
| C18 | C19 | C20 | H4 | 180.0° | 60.0° |
| C18 | C19 | C20 | H5 | 60.0° | 180.0° |
| C18 | C19 | C20 | H6 | 60.0° | 59.9° |
| C19 | C18 | C21 | H7 | 103.6° | 108.8° |
| C19 | C18 | C17 | H10 | 70.5° | 79.3° |
| C18 | C19 | C36 | H40 | 35.0° | 179.8° |
| C18 | C19 | C36 | H41 | 85.0° | 60.2° |
| C18 | C19 | C36 | H42 | 155.0° | 59.8° |
| C18 | C21 | C22 | N23 | 11.9° | 23.8° |
| C18 | C21 | C22 | H7 | 122.3° | 139.1° |
| C18 | C21 | C22 | H8 | 131.3° | 94.9° |
| C18 | C21 | C22 | H9 | 107.5° | 142.8° |
| C21 | C18 | C17 | H10 | 134.1° | 141.8° |
| N23 | C22 | C21 | C19 | 50.9° | 41.5° |
| N23 | C22 | C21 | H8 | 119.4° | 118.7° |
| N23 | C22 | C21 | H9 | 119.4° | 119.0° |
| N23 | C22 | C21 | H7 | 134.2° | 162.9° |
| N23 | C22 | H8 | H9 | 121.8° | 122.5° |
| C22 | N23 | C17 | H10 | 145.9° | 157.6° |
| C13 | C14 | H2 | H3 | 144.7° | 145.6° |
| C14 | C13 | H26 | H27 | 144.7° | 145.7° |
| C25 | C26 | C29 | C27 | 117.4° | 120.0° |
| C25 | C26 | C28 | H12 | 180.0° | 60.0° |
| C25 | C26 | C28 | H13 | 60.0° | 180.0° |
| C25 | C26 | C28 | H14 | 60.0° | 60.0° |
| C25 | C26 | C27 | H30 | 57.5° | 59.9° |
| C25 | C26 | C27 | H31 | 62.5° | 180.0° |
| C25 | C26 | C27 | H32 | 177.5° | 60.0° |
| C25 | C26 | C29 | H33 | 55.9° | 63.2° |
| C25 | C26 | C29 | H34 | 175.9° | 176.8° |
| C25 | C26 | C29 | H35 | 64.1° | 56.8° |
| C26 | C25 | N30 | H36 | 47.3° | 95.0° |
| C29 | C26 | C25 | H11 | 78.1° | 60.1° |
| C29 | C26 | C28 | H12 | 57.1° | 180.0° |
| C29 | C26 | C28 | H13 | 177.1° | 60.0° |
| C29 | C26 | C28 | H14 | 62.9° | 60.0° |
| C29 | C26 | C27 | H30 | 62.1° | 60.0° |
| C29 | C26 | C27 | H31 | 177.9° | 60.0° |
| C29 | C26 | C27 | H32 | 57.9° | 180.0° |
| C26 | C29 | H33 | H34 | 120.0° | 120.0° |
| C26 | C29 | H33 | H35 | 120.0° | 120.0° |
| C26 | C29 | H34 | H35 | 120.0° | 120.0° |
| C27 | C26 | C25 | H11 | 40.0° | 180.0° |
| C27 | C26 | C28 | H12 | 60.9° | 60.0° |
| C27 | C26 | C28 | H13 | 59.1° | 60.0° |
| C27 | C26 | C28 | H14 | 179.1° | 180.0° |
| C26 | C27 | H30 | H31 | 120.0° | 120.1° |
| C26 | C27 | H30 | H32 | 120.0° | 120.0° |
| C26 | C27 | H31 | H32 | 120.0° | 120.0° |
| C27 | C26 | C29 | H33 | 61.5° | 176.9° |
| C27 | C26 | C29 | H34 | 58.5° | 56.9° |
| C27 | C26 | C29 | H35 | 178.5° | 63.2° |
| C36 | C19 | C21 | C22 | 170.0° | 160.3° |
| C36 | C19 | C20 | H4 | 33.4° | 154.6° |
| C36 | C19 | C20 | H5 | 86.6° | 34.6° |
| C36 | C19 | C20 | H6 | 153.4° | 85.5° |
| C36 | C19 | C21 | H7 | 5.0° | 5.2° |
| C36 | C19 | C18 | H29 | 5.7° | 5.6° |
| C19 | C36 | H40 | H41 | 120.0° | 120.0° |
| C19 | C36 | H40 | H42 | 120.0° | 120.0° |
| C19 | C36 | H41 | H42 | 120.0° | 120.0° |
| C19 | C21 | C22 | H7 | 174.9° | 155.5° |
| C21 | C19 | C20 | H4 | 113.5° | 8.2° |
| C21 | C19 | C20 | H5 | 126.5° | 111.7° |
| C21 | C19 | C20 | H6 | 6.5° | 128.2° |
| C19 | C21 | C22 | H8 | 68.5° | 160.3° |
| C19 | C21 | C22 | H9 | 170.3° | 77.4° |
| C21 | C19 | C36 | H40 | 33.7° | 111.9° |
| C21 | C19 | C36 | H41 | 153.8° | 8.1° |
| C21 | C19 | C36 | H42 | 86.3° | 128.1° |
| C21 | C22 | H8 | H9 | 121.7° | 122.4° |
| C22 | C21 | C18 | H29 | 125.2° | 138.7° |
| H1 | C12 | C14 | H2 | 2.2° | 0.0° |
| H1 | C12 | C14 | H3 | 143.2° | 145.0° |
| H1 | C12 | N11 | H25 | 137.6° | 170.8° |
| H1 | C12 | C13 | H26 | 143.2° | 145.1° |
| H1 | C12 | C13 | H27 | 2.2° | 0.1° |
| H2 | C14 | C13 | H26 | 141.0° | 145.0° |
| H2 | C14 | C13 | H27 | 0.0° | 0.1° |
| H3 | C14 | C13 | H26 | 0.0° | 0.0° |
| H3 | C14 | C13 | H27 | 141.0° | 145.0° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H8 | 106.4° | 44.2° |
| H7 | C21 | C22 | H9 | 14.8° | 78.1° |
| H7 | C21 | C18 | H29 | 2.8° | 1.7° |
| H10 | C17 | C18 | H29 | 108.1° | 76.4° |
| H11 | C25 | N30 | H36 | 166.5° | 145.1° |
| H12 | C28 | H13 | H14 | 120.0° | 120.1° |
| H15 | N03 | C04 | H16 | 155.2° | 145.0° |
| H16 | C04 | C05 | H17 | 11.9° | 175.0° |
| H16 | C04 | C05 | H18 | 130.6° | 65.0° |
| H16 | C04 | C09 | H24 | 170.7° | 60.1° |
| H17 | C05 | C06 | H19 | 158.5° | 180.0° |
| H17 | C05 | C06 | H20 | 81.4° | 60.0° |
| H18 | C05 | C06 | H19 | 39.9° | 60.0° |
| H18 | C05 | C06 | H20 | 160.0° | NaN° |
| H21 | C08 | H22 | H23 | 120.0° | 120.0° |
| H24 | C09 | O16 | H28 | 67.4° | 179.9° |
| H30 | C27 | H31 | H32 | 120.0° | 119.9° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
| H37 | C33 | H38 | H39 | 120.0° | 120.1° |
| H40 | C36 | H41 | H42 | 120.0° | 120.0° |
