A1CR3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S07 | C06 | sing | 1.81Å | 1.83Å | |
| S07 | C08 | sing | 1.81Å | 1.82Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| O10 | C09 | doub | 1.21Å | 1.19Å | |
| C09 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.48Å | |
| O29 | C18 | doub | 1.21Å | 1.18Å | |
| C02 | C11 | sing | 1.51Å | 1.64Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C27 | O26 | sing | 1.45Å | 1.40Å | |
| C11 | C12 | sing | 1.54Å | 1.21Å | |
| C11 | N17 | sing | 1.48Å | 1.57Å | |
| C18 | N17 | sing | 1.35Å | 1.46Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.63Å | |
| C12 | C15 | sing | 1.54Å | 1.65Å | |
| N24 | C25 | sing | 1.35Å | 1.46Å | |
| N24 | C19 | sing | 1.46Å | 1.45Å | |
| N17 | C16 | sing | 1.48Å | 1.49Å | |
| O26 | C25 | sing | 1.35Å | 1.40Å | |
| C25 | O28 | doub | 1.22Å | 1.18Å | |
| C13 | C30 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.63Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.54Å | 1.25Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| N24 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | S07 | C08 | 108.8° | 103.0° |
| S07 | C06 | C05 | 110.1° | 109.5° |
| S07 | C06 | H12 | 109.3° | 109.5° |
| S07 | C06 | H13 | 109.3° | 109.5° |
| S07 | C08 | H14 | 109.5° | 109.5° |
| S07 | C08 | H15 | 109.5° | 109.5° |
| S07 | C08 | H16 | 109.5° | 109.5° |
| C06 | C05 | C04 | 112.9° | 109.5° |
| C06 | C05 | H10 | 108.6° | 109.5° |
| C06 | C05 | H11 | 108.6° | 109.4° |
| C05 | C06 | H12 | 109.3° | 109.5° |
| C05 | C06 | H13 | 109.3° | 109.4° |
| C05 | C04 | C09 | 109.1° | 109.5° |
| C05 | C04 | N03 | 108.6° | 109.5° |
| C05 | C04 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 108.6° | 109.5° |
| C04 | C05 | H11 | 108.6° | 109.5° |
| O10 | C09 | C04 | 116.8° | 120.0° |
| O10 | C09 | H17 | 121.6° | 120.0° |
| C09 | C04 | N03 | 112.0° | 109.5° |
| C09 | C04 | H9 | 108.8° | 109.5° |
| C04 | C09 | H17 | 121.6° | 120.0° |
| C04 | N03 | C02 | 121.0° | 120.0° |
| C04 | N03 | H8 | 119.5° | 120.0° |
| N03 | C04 | H9 | 109.7° | 109.5° |
| N03 | C02 | C11 | 118.1° | 120.0° |
| N03 | C02 | O01 | 121.0° | 120.0° |
| C02 | N03 | H8 | 119.5° | 120.0° |
| O29 | C18 | N17 | 118.3° | 120.1° |
| O29 | C18 | C19 | 123.0° | 119.9° |
| C11 | C02 | O01 | 120.9° | 120.0° |
| C02 | C11 | C12 | 116.0° | 110.4° |
| C02 | C11 | N17 | 110.4° | 110.4° |
| C02 | C11 | H18 | 106.9° | 110.3° |
| C27 | O26 | C25 | 114.5° | 117.0° |
| O26 | C27 | H30 | 109.5° | 109.4° |
| O26 | C27 | H31 | 109.5° | 109.4° |
| O26 | C27 | H32 | 109.5° | 109.5° |
| C12 | C11 | N17 | 102.6° | 104.6° |
| C11 | C12 | C13 | 146.9° | 118.1° |
| C11 | C12 | C15 | 109.8° | 105.0° |
| C12 | C11 | H18 | 113.1° | 110.5° |
| C11 | C12 | H19 | 109.0° | 117.6° |
| C11 | N17 | C18 | 125.9° | 127.8° |
| C11 | N17 | C16 | 105.9° | 104.3° |
| N17 | C11 | H18 | 107.6° | 110.6° |
| N17 | C18 | C19 | 118.7° | 120.0° |
| C18 | N17 | C16 | 128.1° | 127.8° |
| C18 | C19 | N24 | 107.8° | 109.5° |
| C18 | C19 | C20 | 112.5° | 109.5° |
| C18 | C19 | H25 | 108.7° | 109.4° |
| C22 | C20 | C19 | 112.0° | 109.5° |
| C22 | C20 | C21 | 109.7° | 109.5° |
| C22 | C20 | C23 | 108.6° | 109.5° |
| C20 | C22 | H5 | 109.5° | 109.5° |
| C20 | C22 | H6 | 109.5° | 109.5° |
| C20 | C22 | H7 | 109.5° | 109.5° |
| C14 | C13 | C12 | 113.7° | 117.4° |
| C14 | C13 | C30 | 120.1° | 115.5° |
| C14 | C13 | C15 | 113.6° | 117.4° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C12 | C15 | 59.6° | 59.7° |
| C12 | C13 | C30 | 118.5° | 117.5° |
| C12 | C13 | C15 | 60.7° | 60.6° |
| C13 | C12 | H19 | 104.0° | 119.6° |
| C12 | C15 | C13 | 59.7° | 59.7° |
| C12 | C15 | C16 | 107.5° | 105.0° |
| C12 | C15 | H1 | 100.6° | 123.1° |
| C15 | C12 | H19 | 103.9° | 123.2° |
| C25 | N24 | C19 | 118.7° | 120.0° |
| N24 | C25 | O26 | 120.4° | 120.0° |
| N24 | C25 | O28 | 119.7° | 120.0° |
| C25 | N24 | H29 | 120.7° | 120.0° |
| N24 | C19 | C20 | 109.6° | 109.5° |
| N24 | C19 | H25 | 109.8° | 109.5° |
| C19 | N24 | H29 | 120.6° | 120.0° |
| N17 | C16 | C15 | 102.2° | 104.6° |
| N17 | C16 | H23 | 111.3° | 110.4° |
| N17 | C16 | H24 | 111.2° | 110.5° |
| O26 | C25 | O28 | 119.8° | 120.0° |
| C30 | C13 | C15 | 116.2° | 117.4° |
| C13 | C30 | H33 | 109.5° | 109.4° |
| C13 | C30 | H34 | 109.5° | 109.4° |
| C13 | C30 | H35 | 109.5° | 109.5° |
| C13 | C15 | C16 | 154.2° | 118.1° |
| C13 | C15 | H1 | 100.7° | 119.6° |
| C19 | C20 | C21 | 110.4° | 109.5° |
| C19 | C20 | C23 | 106.2° | 109.5° |
| C20 | C19 | H25 | 108.5° | 109.5° |
| C21 | C20 | C23 | 109.8° | 109.4° |
| C20 | C21 | H2 | 109.5° | 109.5° |
| C20 | C21 | H3 | 109.5° | 109.4° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C20 | C23 | H26 | 109.5° | 109.5° |
| C20 | C23 | H27 | 109.5° | 109.5° |
| C20 | C23 | H28 | 109.5° | 109.4° |
| C16 | C15 | H1 | 103.9° | 117.6° |
| C15 | C16 | H23 | 111.2° | 110.4° |
| C15 | C16 | H24 | 111.3° | 110.4° |
| H2 | C21 | H3 | 109.4° | 109.5° |
| H2 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H12 | C06 | H13 | 109.5° | 109.4° |
| H14 | C08 | H15 | 109.5° | 109.4° |
| H14 | C08 | H16 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 110.4° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.4° | 109.5° |
| H30 | C27 | H31 | 109.4° | 109.5° |
| H30 | C27 | H32 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.4° | 109.5° |
| H33 | C30 | H35 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S07 | C06 | C05 | H12 | 120.1° | 120.1° |
| S07 | C06 | C05 | H13 | 120.1° | 120.0° |
| S07 | C06 | C05 | C04 | 170.1° | 180.0° |
| S07 | C06 | C05 | H10 | 49.6° | 59.9° |
| S07 | C06 | C05 | H11 | 69.4° | 60.0° |
| S07 | C06 | H12 | H13 | 119.7° | 120.0° |
| C06 | S07 | C08 | H14 | 180.0° | 60.0° |
| C06 | S07 | C08 | H15 | 60.0° | 60.0° |
| C06 | S07 | C08 | H16 | 60.0° | 180.0° |
| C08 | S07 | C06 | C05 | 71.8° | 180.0° |
| C08 | S07 | C06 | H12 | 168.1° | 60.0° |
| C08 | S07 | C06 | H13 | 48.3° | 60.0° |
| S07 | C08 | H14 | H15 | 120.0° | 120.0° |
| S07 | C08 | H14 | H16 | 120.0° | 120.1° |
| S07 | C08 | H15 | H16 | 120.0° | 120.0° |
| C06 | C05 | C04 | H10 | 120.5° | 120.0° |
| C06 | C05 | C04 | H11 | 120.5° | 120.0° |
| C06 | C05 | C04 | C09 | 128.2° | 175.0° |
| C06 | C05 | C04 | N03 | 5.9° | 65.0° |
| C06 | C05 | C04 | H9 | 113.3° | 55.0° |
| C06 | C05 | H10 | H11 | 118.5° | 120.0° |
| C05 | C06 | H12 | H13 | 119.7° | 120.0° |
| C05 | C04 | C09 | O10 | 62.7° | 119.9° |
| C05 | C04 | C09 | N03 | 120.2° | 120.0° |
| C05 | C04 | C09 | H9 | 118.4° | 120.0° |
| C05 | C04 | N03 | H9 | 118.6° | 120.0° |
| C05 | C04 | N03 | C02 | 119.2° | 155.0° |
| C05 | C04 | N03 | H8 | 60.8° | 25.1° |
| C04 | C05 | H10 | H11 | 118.4° | 120.0° |
| C04 | C05 | C06 | H12 | 69.8° | 60.0° |
| C04 | C05 | C06 | H13 | 50.0° | 60.0° |
| C05 | C04 | C09 | H17 | 117.2° | 60.0° |
| O10 | C09 | C04 | H17 | 180.0° | 179.9° |
| O10 | C09 | C04 | N03 | 177.0° | 0.0° |
| O10 | C09 | C04 | H9 | 55.6° | 120.0° |
| C09 | C04 | N03 | H9 | 120.9° | 120.0° |
| C09 | C04 | N03 | C02 | 120.3° | 85.0° |
| C09 | C04 | N03 | H8 | 59.7° | 94.9° |
| C09 | C04 | C05 | H10 | 111.3° | 65.0° |
| C09 | C04 | C05 | H11 | 7.7° | 55.0° |
| C04 | N03 | C02 | H8 | 180.0° | 179.9° |
| C04 | N03 | C02 | C11 | 178.9° | 180.0° |
| C04 | N03 | C02 | O01 | 0.4° | 0.0° |
| N03 | C04 | C05 | H10 | 126.4° | 55.0° |
| N03 | C04 | C05 | H11 | 114.6° | 175.0° |
| N03 | C04 | C09 | H17 | 3.0° | 180.0° |
| N03 | C02 | C11 | O01 | 178.5° | 180.0° |
| N03 | C02 | C11 | C12 | 108.7° | 80.1° |
| N03 | C02 | C11 | N17 | 135.2° | 164.8° |
| C02 | N03 | C04 | H9 | 0.6° | 35.0° |
| N03 | C02 | C11 | H18 | 18.5° | 42.3° |
| O29 | C18 | N17 | C11 | 0.6° | 5.1° |
| O29 | C18 | N17 | C19 | 179.0° | 179.9° |
| O29 | C18 | C19 | N24 | 54.5° | 32.0° |
| O29 | C18 | N17 | C16 | 179.2° | 175.0° |
| O29 | C18 | C19 | C20 | 66.5° | 88.0° |
| O29 | C18 | C19 | H25 | 173.3° | 152.0° |
| C02 | C11 | C12 | N17 | 120.4° | 118.7° |
| C02 | C11 | C12 | H18 | 124.0° | 122.3° |
| C02 | C11 | N17 | H18 | 116.3° | 122.3° |
| C02 | C11 | N17 | C18 | 85.7° | 100.9° |
| C02 | C11 | C12 | C13 | 172.5° | 158.3° |
| C02 | C11 | C12 | C15 | 108.2° | 94.9° |
| C02 | C11 | N17 | C16 | 95.3° | 79.2° |
| C11 | C02 | N03 | H8 | 1.1° | 0.1° |
| C02 | C11 | C12 | H19 | 5.0° | 46.2° |
| O01 | C02 | C11 | C12 | 72.8° | 100.0° |
| O01 | C02 | C11 | N17 | 43.3° | 15.2° |
| O01 | C02 | N03 | H8 | 179.6° | 179.9° |
| O01 | C02 | C11 | H18 | 160.1° | 137.7° |
| C27 | O26 | C25 | N24 | 102.3° | 180.0° |
| C27 | O26 | C25 | O28 | 78.1° | 0.1° |
| O26 | C27 | H30 | H31 | 120.0° | 119.9° |
| O26 | C27 | H30 | H32 | 120.0° | 120.0° |
| O26 | C27 | H31 | H32 | 120.0° | 120.0° |
| C12 | C11 | N17 | H18 | 119.5° | 118.9° |
| C12 | C11 | N17 | C18 | 150.0° | 140.4° |
| C11 | C12 | C13 | C14 | 25.2° | 16.1° |
| C11 | C12 | C13 | C15 | 79.5° | 91.6° |
| C11 | C12 | C13 | H19 | 177.6° | 155.0° |
| C11 | C12 | C15 | H19 | 116.5° | 138.4° |
| C12 | C11 | N17 | C16 | 28.9° | 39.5° |
| C11 | C12 | C13 | C30 | 174.7° | 160.8° |
| C11 | C12 | C15 | C16 | 10.1° | 0.0° |
| C11 | C12 | C15 | H1 | 118.5° | 138.4° |
| C11 | N17 | C18 | C16 | 178.7° | 179.9° |
| C11 | N17 | C18 | C19 | 178.4° | 174.9° |
| N17 | C11 | C12 | C13 | 52.1° | 39.5° |
| N17 | C11 | C12 | C15 | 12.2° | 23.8° |
| C11 | N17 | C16 | C15 | 35.3° | 39.5° |
| N17 | C11 | C12 | H19 | 125.4° | 164.9° |
| C11 | N17 | C16 | H23 | 154.1° | 79.3° |
| C11 | N17 | C16 | H24 | 83.5° | 158.4° |
| N17 | C18 | C19 | N24 | 124.5° | 148.0° |
| N17 | C18 | C19 | C20 | 114.6° | 92.0° |
| C18 | N17 | C16 | C15 | 143.6° | 140.4° |
| C18 | N17 | C11 | H18 | 30.5° | 21.4° |
| C18 | N17 | C16 | H23 | 24.8° | 100.8° |
| C18 | N17 | C16 | H24 | 97.6° | 21.5° |
| N17 | C18 | C19 | H25 | 5.6° | 28.0° |
| C18 | C19 | C20 | C22 | 77.9° | 174.8° |
| C18 | C19 | N24 | C25 | 93.8° | 155.0° |
| C18 | C19 | N24 | C20 | 122.7° | 120.0° |
| C18 | C19 | N24 | H25 | 118.2° | 119.9° |
| C19 | C18 | N17 | C16 | 0.3° | 5.0° |
| C18 | C19 | C20 | H25 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 44.7° | 54.8° |
| C18 | C19 | C20 | C23 | 163.7° | 65.2° |
| C18 | C19 | N24 | H29 | 86.2° | 24.9° |
| C22 | C20 | C19 | N24 | 42.0° | 65.2° |
| C22 | C20 | C19 | C21 | 122.6° | 120.0° |
| C22 | C20 | C19 | C23 | 118.4° | 120.0° |
| C22 | C20 | C21 | C23 | 119.3° | 120.0° |
| C22 | C20 | C21 | H2 | 180.0° | 178.5° |
| C22 | C20 | C21 | H3 | 60.0° | 61.5° |
| C22 | C20 | C21 | H4 | 60.0° | 58.5° |
| C20 | C22 | H5 | H6 | 120.0° | 120.0° |
| C20 | C22 | H5 | H7 | 120.0° | 120.0° |
| C20 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | C20 | C19 | H25 | 161.9° | 54.9° |
| C22 | C20 | C23 | H26 | 180.0° | 60.0° |
| C22 | C20 | C23 | H27 | 60.0° | 60.1° |
| C22 | C20 | C23 | H28 | 60.0° | 180.0° |
| C14 | C13 | C12 | C30 | 149.5° | 144.7° |
| C14 | C13 | C12 | C15 | 104.7° | 107.6° |
| C14 | C13 | C30 | C15 | 143.1° | 145.3° |
| C14 | C13 | C15 | C16 | 39.1° | 16.1° |
| C14 | C13 | C15 | H1 | 158.9° | 139.1° |
| C14 | C13 | C12 | H19 | 157.2° | 139.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H22 | 120.0° | 120.0° |
| C13 | C14 | H21 | H22 | 120.0° | 120.0° |
| C14 | C13 | C30 | H33 | 180.0° | 154.0° |
| C14 | C13 | C30 | H34 | 60.0° | 86.0° |
| C14 | C13 | C30 | H35 | 60.0° | 34.0° |
| C13 | C12 | C15 | H19 | 98.3° | 107.5° |
| C12 | C13 | C30 | C15 | 69.3° | 69.3° |
| C13 | C12 | C15 | C16 | 155.4° | 114.1° |
| C13 | C12 | C15 | H1 | 96.3° | 107.5° |
| C13 | C12 | C11 | H18 | 63.5° | 79.5° |
| C12 | C13 | C14 | H20 | 180.0° | 59.8° |
| C12 | C13 | C14 | H21 | 60.0° | 60.2° |
| C12 | C13 | C14 | H22 | 60.0° | 179.8° |
| C12 | C13 | C30 | H33 | 32.5° | 60.6° |
| C12 | C13 | C30 | H34 | 87.5° | 59.4° |
| C12 | C13 | C30 | H35 | 152.5° | 179.4° |
| C12 | C15 | C16 | N17 | 27.2° | 23.9° |
| C12 | C15 | C16 | H1 | 106.0° | 141.0° |
| C15 | C12 | C11 | H18 | 127.8° | 142.8° |
| C12 | C15 | C16 | H23 | 146.0° | 94.9° |
| C12 | C15 | C16 | H24 | 91.6° | 142.7° |
| C25 | N24 | C19 | H29 | 180.0° | 179.9° |
| N24 | C25 | O26 | O28 | 179.7° | 179.9° |
| C25 | N24 | C19 | C20 | 143.4° | 85.0° |
| C25 | N24 | C19 | H25 | 24.4° | 35.1° |
| C19 | N24 | C25 | O26 | 152.1° | 180.0° |
| C19 | N24 | C25 | O28 | 27.6° | 0.1° |
| N24 | C19 | C20 | H25 | 119.8° | 120.1° |
| N24 | C19 | C20 | C21 | 164.7° | 174.8° |
| N24 | C19 | C20 | C23 | 76.4° | 54.8° |
| N17 | C16 | C15 | C13 | 28.5° | 39.4° |
| N17 | C16 | C15 | H23 | 118.8° | 118.8° |
| N17 | C16 | C15 | H24 | 118.8° | 118.9° |
| N17 | C16 | C15 | H1 | 133.2° | 164.9° |
| C16 | N17 | C11 | H18 | 148.4° | 158.5° |
| N17 | C16 | H23 | H24 | 123.4° | 122.4° |
| O26 | C25 | N24 | H29 | 27.9° | 0.0° |
| C25 | O26 | C27 | H30 | 180.0° | 59.9° |
| C25 | O26 | C27 | H31 | 60.0° | 60.0° |
| C25 | O26 | C27 | H32 | 60.0° | 180.0° |
| O28 | C25 | N24 | H29 | 152.4° | 179.9° |
| C30 | C13 | C15 | C16 | 175.4° | 160.8° |
| C30 | C13 | C15 | H1 | 13.4° | 5.6° |
| C30 | C13 | C12 | H19 | 7.7° | 5.8° |
| C30 | C13 | C14 | H20 | 31.0° | 85.6° |
| C30 | C13 | C14 | H21 | 89.0° | 154.4° |
| C30 | C13 | C14 | H22 | 151.0° | 34.4° |
| C13 | C30 | H33 | H34 | 120.0° | 119.9° |
| C13 | C30 | H33 | H35 | 120.0° | 120.0° |
| C13 | C30 | H34 | H35 | 120.0° | 120.0° |
| C13 | C15 | C16 | H1 | 161.8° | 155.7° |
| C15 | C13 | C14 | H20 | 113.0° | 129.1° |
| C15 | C13 | C14 | H21 | 127.0° | 9.0° |
| C15 | C13 | C14 | H22 | 7.0° | 110.9° |
| C13 | C15 | C16 | H23 | 90.3° | 158.2° |
| C13 | C15 | C16 | H24 | 147.3° | 79.5° |
| C15 | C13 | C30 | H33 | 36.9° | 8.7° |
| C15 | C13 | C30 | H34 | 156.9° | 128.6° |
| C15 | C13 | C30 | H35 | 83.2° | 111.3° |
| C19 | C20 | C21 | C23 | 116.7° | 120.0° |
| C19 | C20 | C21 | H2 | 56.1° | 61.5° |
| C19 | C20 | C21 | H3 | 176.0° | 58.5° |
| C19 | C20 | C21 | H4 | 63.9° | 178.5° |
| C19 | C20 | C22 | H5 | 180.0° | 60.0° |
| C19 | C20 | C22 | H6 | 60.0° | 60.0° |
| C19 | C20 | C22 | H7 | 60.0° | 179.9° |
| C19 | C20 | C23 | H26 | 59.4° | 180.0° |
| C19 | C20 | C23 | H27 | 60.7° | 60.0° |
| C19 | C20 | C23 | H28 | 179.4° | 60.0° |
| C20 | C19 | N24 | H29 | 36.6° | 95.1° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C20 | C21 | H2 | H4 | 120.0° | 120.0° |
| C20 | C21 | H3 | H4 | 120.0° | 120.0° |
| C21 | C20 | C22 | H5 | 57.0° | 60.0° |
| C21 | C20 | C22 | H6 | 177.0° | 180.0° |
| C21 | C20 | C22 | H7 | 63.0° | 59.9° |
| C21 | C20 | C19 | H25 | 75.5° | 65.1° |
| C21 | C20 | C23 | H26 | 60.0° | 60.0° |
| C21 | C20 | C23 | H27 | 180.0° | 179.9° |
| C21 | C20 | C23 | H28 | 60.0° | 60.0° |
| C23 | C20 | C21 | H2 | 60.7° | 58.5° |
| C23 | C20 | C21 | H3 | 59.3° | 178.5° |
| C23 | C20 | C21 | H4 | 179.3° | 61.5° |
| C23 | C20 | C22 | H5 | 63.1° | 179.9° |
| C23 | C20 | C22 | H6 | 57.0° | 60.0° |
| C23 | C20 | C22 | H7 | 176.9° | 60.0° |
| C23 | C20 | C19 | H25 | 43.5° | 174.9° |
| C20 | C23 | H26 | H27 | 120.0° | 120.0° |
| C20 | C23 | H26 | H28 | 120.0° | 120.0° |
| C20 | C23 | H27 | H28 | 120.0° | 119.9° |
| C16 | C15 | C12 | H19 | 106.4° | 138.3° |
| C15 | C16 | H23 | H24 | 123.4° | 122.4° |
| H1 | C15 | C12 | H19 | 2.0° | 0.0° |
| H1 | C15 | C16 | H23 | 107.9° | 46.1° |
| H1 | C15 | C16 | H24 | 14.4° | 76.2° |
| H2 | C21 | H3 | H4 | 120.0° | 120.0° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | N03 | C04 | H9 | 179.4° | 145.1° |
| H9 | C04 | C05 | H10 | 7.2° | 175.0° |
| H9 | C04 | C05 | H11 | 126.2° | 65.0° |
| H9 | C04 | C09 | H17 | 124.4° | 60.0° |
| H10 | C05 | C06 | H12 | 169.7° | NaN° |
| H10 | C05 | C06 | H13 | 70.5° | 60.0° |
| H11 | C05 | C06 | H12 | 50.7° | 60.0° |
| H11 | C05 | C06 | H13 | 170.5° | 180.0° |
| H14 | C08 | H15 | H16 | 120.0° | 120.0° |
| H18 | C11 | C12 | H19 | 119.0° | 76.1° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| H25 | C19 | N24 | H29 | 155.6° | 144.9° |
| H26 | C23 | H27 | H28 | 120.0° | 120.0° |
| H30 | C27 | H31 | H32 | 120.0° | 120.1° |
| H33 | C30 | H34 | H35 | 120.0° | 120.0° |
