A1ICD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.24Å | 1.25Å | |
| N03 | C02 | sing | 1.35Å | 1.58Å | |
| C04 | N03 | sing | 1.45Å | 1.20Å | |
| S07 | C06 | sing | 1.79Å | 1.72Å | |
| C06 | C05 | sing | 1.53Å | 1.24Å | |
| N08 | C05 | sing | 1.45Å | 1.29Å | |
| C05 | C04 | sing | 1.55Å | 1.69Å | |
| C09 | C04 | sing | 1.57Å | 1.40Å | |
| C10 | C09 | sing | 1.54Å | 1.50Å | |
| C11 | C10 | sing | 1.54Å | 1.60Å | |
| C12 | C11 | sing | 1.54Å | 1.64Å | |
| C13 | C12 | sing | 1.53Å | 1.61Å | |
| C14 | C13 | sing | 1.52Å | 1.63Å | |
| C16 | N15 | sing | 1.49Å | 1.55Å | |
| C17 | C16 | sing | 1.52Å | 1.62Å | |
| C18 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.49Å | Aromatic |
| N20 | C19 | doub | 1.32Å | 1.48Å | Aromatic |
| O22 | NI21 | sing | 2.09Å | 2.09Å | |
| O23 | NI21 | sing | 2.08Å | 2.08Å | |
| O24 | NI21 | sing | 2.08Å | 2.06Å | |
| O25 | NI21 | sing | 2.07Å | 2.09Å | |
| NI21 | N20 | sing | 2.11Å | 2.15Å | |
| C26 | N20 | sing | 1.35Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.42Å | 1.57Å | Aromatic |
| C28 | C27 | sing | 1.44Å | 1.47Å | Aromatic |
| C29 | C28 | doub | 1.35Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.43Å | 1.52Å | Aromatic |
| C31 | C30 | doub | 1.41Å | 1.53Å | Aromatic |
| N32 | C31 | sing | 1.36Å | 1.39Å | Aromatic |
| C33 | N32 | doub | 1.32Å | 1.44Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.49Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.44Å | Aromatic |
| N15 | C14 | sing | 1.38Å | 1.53Å | |
| O36 | C14 | doub | 1.23Å | 1.25Å | |
| C02 | N08 | sing | 1.34Å | 1.46Å | |
| S07 | C09 | sing | 1.82Å | 1.40Å | |
| C17 | C27 | sing | 1.45Å | 1.47Å | Aromatic |
| NI21 | N32 | sing | 2.10Å | 2.21Å | |
| C26 | C31 | sing | 1.44Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.47Å | Aromatic |
| C36 | N15 | sing | 1.48Å | 1.06Å | |
| C04 | H1 | sing | 0.99Å | 1.10Å | |
| C05 | H2 | sing | 0.99Å | 1.10Å | |
| C06 | H3 | sing | 0.99Å | 1.10Å | |
| C06 | H4 | sing | 0.99Å | 1.10Å | |
| C09 | H5 | sing | 1.00Å | 1.10Å | |
| C10 | H6 | sing | 0.98Å | 1.10Å | |
| C10 | H7 | sing | 0.98Å | 1.10Å | |
| C11 | H8 | sing | 0.98Å | 1.10Å | |
| C11 | H9 | sing | 0.98Å | 1.10Å | |
| C12 | H10 | sing | 0.98Å | 1.10Å | |
| C12 | H11 | sing | 0.98Å | 1.10Å | |
| C13 | H12 | sing | 0.98Å | 1.10Å | |
| C13 | H13 | sing | 0.98Å | 1.10Å | |
| C16 | H14 | sing | 0.98Å | 1.10Å | |
| C16 | H15 | sing | 0.98Å | 1.10Å | |
| C18 | H16 | sing | 0.94Å | 1.08Å | |
| C19 | H17 | sing | 0.95Å | 1.08Å | |
| C28 | H18 | sing | 0.94Å | 1.08Å | |
| C29 | H19 | sing | 0.94Å | 1.08Å | |
| C33 | H20 | sing | 0.94Å | 1.08Å | |
| C34 | H21 | sing | 0.94Å | 1.08Å | |
| C35 | H22 | sing | 0.94Å | 1.08Å | |
| N03 | H23 | sing | 0.86Å | 1.00Å | |
| N08 | H24 | sing | 0.86Å | 1.00Å | |
| C36 | H29 | sing | 0.97Å | 1.10Å | |
| C36 | H30 | sing | 0.97Å | 1.10Å | |
| C36 | H31 | sing | 0.97Å | 1.10Å | |
| O24 | H25 | sing | 0.86Å | 0.95Å | |
| O25 | H26 | sing | 0.86Å | 0.95Å | |
| H27 | O22 | sing | 0.86Å | 0.95Å | |
| H28 | O22 | sing | 0.86Å | 0.95Å | |
| H32 | O23 | sing | 0.86Å | 0.95Å | |
| H33 | O23 | sing | 0.86Å | 0.95Å | |
| H34 | O24 | sing | 0.86Å | 0.95Å | |
| H35 | O25 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 127.7° | 126.0° |
| O01 | C02 | N08 | 126.5° | 126.0° |
| C02 | N03 | C04 | 111.1° | 113.7° |
| N03 | C02 | N08 | 105.7° | 108.0° |
| C02 | N03 | H23 | 124.4° | 121.7° |
| N03 | C04 | C05 | 105.9° | 102.0° |
| N03 | C04 | C09 | 112.8° | 116.3° |
| N03 | C04 | H1 | 114.5° | 109.6° |
| C04 | N03 | H23 | 124.5° | 124.6° |
| S07 | C06 | C05 | 110.5° | 106.0° |
| C06 | S07 | C09 | 99.8° | 90.0° |
| S07 | C06 | H3 | 109.2° | 110.6° |
| S07 | C06 | H4 | 109.2° | 110.6° |
| C06 | C05 | N08 | 109.3° | 113.0° |
| C06 | C05 | C04 | 105.9° | 109.2° |
| C06 | C05 | H2 | 113.4° | 110.7° |
| C05 | C06 | H3 | 109.2° | 110.5° |
| C05 | C06 | H4 | 109.2° | 110.5° |
| N08 | C05 | C04 | 108.6° | 102.7° |
| C05 | N08 | C02 | 108.5° | 113.3° |
| N08 | C05 | H2 | 112.5° | 110.3° |
| C05 | N08 | H24 | 125.8° | 124.5° |
| C05 | C04 | C09 | 105.0° | 108.1° |
| C05 | C04 | H1 | 107.1° | 110.3° |
| C04 | C05 | H2 | 107.0° | 110.8° |
| C04 | C09 | C10 | 108.1° | 119.5° |
| C04 | C09 | S07 | 112.3° | 101.8° |
| C09 | C04 | H1 | 110.8° | 110.2° |
| C04 | C09 | H5 | 106.5° | 107.4° |
| C09 | C10 | C11 | 109.2° | 116.9° |
| C10 | C09 | S07 | 117.4° | 112.7° |
| C10 | C09 | H5 | 105.3° | 107.4° |
| C09 | C10 | H6 | 109.5° | 108.5° |
| C09 | C10 | H7 | 109.5° | 108.0° |
| C10 | C11 | C12 | 106.0° | 115.9° |
| C11 | C10 | H6 | 109.5° | 108.6° |
| C11 | C10 | H7 | 109.6° | 107.7° |
| C10 | C11 | H8 | 110.3° | 108.3° |
| C10 | C11 | H9 | 110.3° | 109.1° |
| C11 | C12 | C13 | 109.5° | 115.5° |
| C12 | C11 | H8 | 110.4° | 108.4° |
| C12 | C11 | H9 | 110.3° | 107.9° |
| C11 | C12 | H10 | 109.5° | 108.2° |
| C11 | C12 | H11 | 109.5° | 108.7° |
| C12 | C13 | C14 | 105.8° | 113.2° |
| C13 | C12 | H10 | 109.4° | 108.5° |
| C13 | C12 | H11 | 109.5° | 108.4° |
| C12 | C13 | H12 | 110.4° | 108.6° |
| C12 | C13 | H13 | 110.4° | 109.0° |
| C13 | C14 | N15 | 118.5° | 125.4° |
| C13 | C14 | O36 | 121.1° | 116.3° |
| C14 | C13 | H12 | 110.4° | 106.6° |
| C14 | C13 | H13 | 110.4° | 111.8° |
| N15 | C16 | C17 | 104.9° | 117.3° |
| C16 | N15 | C14 | 117.9° | 126.2° |
| C16 | N15 | C36 | 122.0° | 116.1° |
| N15 | C16 | H14 | 110.6° | 109.3° |
| N15 | C16 | H15 | 110.6° | 107.4° |
| C16 | C17 | C18 | 119.6° | 116.5° |
| C16 | C17 | C27 | 120.0° | 126.3° |
| C17 | C16 | H14 | 110.6° | 107.3° |
| C17 | C16 | H15 | 110.6° | 109.0° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C18 | C17 | C27 | 120.4° | 117.2° |
| C17 | C18 | H16 | 120.2° | 119.7° |
| C18 | C19 | N20 | 120.0° | 124.1° |
| C19 | C18 | H16 | 120.2° | 120.2° |
| C18 | C19 | H17 | 120.0° | 118.1° |
| C19 | N20 | NI21 | 128.8° | 129.2° |
| C19 | N20 | C26 | 122.7° | 117.7° |
| N20 | C19 | H17 | 120.0° | 117.8° |
| O22 | NI21 | O23 | 179.4° | 175.5° |
| O22 | NI21 | O24 | 90.4° | 90.8° |
| O22 | NI21 | O25 | 89.1° | 87.8° |
| O22 | NI21 | N20 | 90.6° | 92.0° |
| O22 | NI21 | N32 | 89.4° | 90.1° |
| NI21 | O22 | H27 | 109.5° | 109.4° |
| NI21 | O22 | H28 | 109.5° | 110.8° |
| O23 | NI21 | O24 | 89.9° | 89.6° |
| O23 | NI21 | O25 | 90.4° | 87.7° |
| O23 | NI21 | N20 | 89.9° | 92.4° |
| O23 | NI21 | N32 | 90.4° | 89.9° |
| NI21 | O23 | H32 | 109.5° | 108.8° |
| NI21 | O23 | H33 | 109.5° | 110.1° |
| O24 | NI21 | O25 | 86.6° | 92.9° |
| O24 | NI21 | N20 | 82.3° | 93.9° |
| O24 | NI21 | N32 | 163.2° | 173.2° |
| NI21 | O24 | H25 | 109.5° | 110.6° |
| NI21 | O24 | H34 | 109.5° | 109.9° |
| O25 | NI21 | N20 | 168.9° | 173.1° |
| O25 | NI21 | N32 | 110.2° | 93.8° |
| NI21 | O25 | H26 | 109.5° | 109.5° |
| NI21 | O25 | H35 | 109.5° | 109.4° |
| NI21 | N20 | C26 | 108.4° | 113.0° |
| N20 | NI21 | N32 | 80.9° | 79.3° |
| N20 | C26 | C27 | 118.1° | 123.1° |
| N20 | C26 | C31 | 122.9° | 117.2° |
| C26 | C27 | C28 | 121.0° | 118.2° |
| C26 | C27 | C17 | 119.3° | 117.8° |
| C27 | C26 | C31 | 119.0° | 119.8° |
| C27 | C28 | C29 | 120.0° | 121.8° |
| C28 | C27 | C17 | 119.8° | 124.0° |
| C27 | C28 | H18 | 120.0° | 119.8° |
| C28 | C29 | C30 | 120.4° | 121.2° |
| C29 | C28 | H18 | 120.0° | 118.5° |
| C28 | C29 | H19 | 119.8° | 119.6° |
| C29 | C30 | C31 | 120.3° | 119.2° |
| C29 | C30 | C35 | 120.5° | 123.3° |
| C30 | C29 | H19 | 119.8° | 119.1° |
| C30 | C31 | N32 | 120.4° | 122.7° |
| C30 | C31 | C26 | 119.3° | 119.8° |
| C31 | C30 | C35 | 119.2° | 117.5° |
| C31 | N32 | C33 | 120.2° | 117.5° |
| C31 | N32 | NI21 | 107.5° | 113.0° |
| N32 | C31 | C26 | 120.3° | 117.5° |
| N32 | C33 | C34 | 121.5° | 123.7° |
| C33 | N32 | NI21 | 132.3° | 129.5° |
| N32 | C33 | H20 | 119.2° | 117.9° |
| C33 | C34 | C35 | 119.7° | 118.7° |
| C34 | C33 | H20 | 119.2° | 118.4° |
| C33 | C34 | H21 | 120.1° | 120.6° |
| C34 | C35 | C30 | 118.9° | 119.9° |
| C35 | C34 | H21 | 120.1° | 120.7° |
| C34 | C35 | H22 | 120.6° | 120.3° |
| N15 | C14 | O36 | 120.4° | 118.3° |
| C14 | N15 | C36 | 120.2° | 117.7° |
| C02 | N08 | H24 | 125.8° | 122.2° |
| S07 | C09 | H5 | 106.4° | 107.2° |
| C30 | C35 | H22 | 120.5° | 119.9° |
| N15 | C36 | H29 | 109.5° | 113.9° |
| N15 | C36 | H30 | 109.4° | 108.8° |
| N15 | C36 | H31 | 109.5° | 108.7° |
| H3 | C06 | H4 | 109.5° | 108.6° |
| H6 | C10 | H7 | 109.5° | 106.8° |
| H8 | C11 | H9 | 109.5° | 106.8° |
| H10 | C12 | H11 | 109.5° | 107.3° |
| H12 | C13 | H13 | 109.5° | 107.3° |
| H14 | C16 | H15 | 109.5° | 106.0° |
| H29 | C36 | H30 | 109.4° | 108.2° |
| H29 | C36 | H31 | 109.5° | 108.3° |
| H30 | C36 | H31 | 109.5° | 108.7° |
| H25 | O24 | H34 | 109.4° | 107.1° |
| H26 | O25 | H35 | 109.5° | 107.4° |
| H27 | O22 | H28 | 109.5° | 107.3° |
| H32 | O23 | H33 | 109.5° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | N08 | 177.5° | 179.6° |
| O01 | C02 | N03 | C04 | 178.3° | 178.4° |
| O01 | C02 | N08 | C05 | 177.6° | 177.4° |
| O01 | C02 | N03 | H23 | 1.7° | 0.9° |
| O01 | C02 | N08 | H24 | 2.4° | 2.6° |
| C02 | N03 | C04 | H23 | 180.0° | 179.3° |
| N03 | C02 | N08 | C05 | 4.8° | 3.0° |
| C02 | N03 | C04 | C05 | 1.8° | 4.3° |
| C02 | N03 | C04 | C09 | 112.4° | 121.7° |
| C02 | N03 | C04 | H1 | 119.7° | 112.5° |
| N03 | C02 | N08 | H24 | 175.1° | 177.0° |
| N03 | C04 | C05 | C06 | 116.0° | 114.7° |
| N03 | C04 | C05 | N08 | 1.2° | 5.5° |
| N03 | C04 | C05 | C09 | 119.5° | 123.1° |
| N03 | C04 | C05 | H1 | 122.6° | 116.4° |
| N03 | C04 | C09 | H1 | 129.9° | 125.5° |
| N03 | C04 | C09 | C10 | 36.8° | 48.1° |
| C04 | N03 | C02 | N08 | 4.2° | 1.2° |
| N03 | C04 | C09 | S07 | 94.4° | 76.8° |
| N03 | C04 | C05 | H2 | 122.9° | 123.2° |
| N03 | C04 | C09 | H5 | 149.6° | 170.7° |
| S07 | C06 | C05 | H3 | 120.1° | 119.9° |
| S07 | C06 | C05 | H4 | 120.2° | 119.9° |
| S07 | C06 | C05 | N08 | 105.4° | 88.5° |
| S07 | C06 | C05 | C04 | 11.4° | 25.1° |
| C06 | S07 | C09 | C04 | 25.3° | 45.7° |
| C06 | S07 | C09 | C10 | 151.6° | 175.0° |
| S07 | C06 | C05 | H2 | 128.3° | 147.3° |
| S07 | C06 | H3 | H4 | 119.6° | 121.5° |
| C06 | S07 | C09 | H5 | 90.9° | 67.0° |
| C06 | C05 | N08 | C04 | 115.0° | 117.5° |
| C06 | C05 | N08 | H2 | 126.8° | 124.4° |
| C06 | C05 | C04 | H2 | 121.2° | 122.1° |
| C06 | C05 | C04 | C09 | 3.5° | 8.4° |
| C06 | C05 | N08 | C02 | 111.2° | 112.1° |
| C05 | C06 | S07 | C09 | 23.1° | 42.2° |
| C06 | C05 | C04 | H1 | 121.4° | 128.9° |
| C05 | C06 | H3 | H4 | 119.5° | 121.4° |
| C06 | C05 | N08 | H24 | 68.9° | 67.9° |
| N08 | C05 | C04 | H2 | 121.6° | 117.7° |
| N08 | C05 | C04 | C09 | 120.8° | 128.6° |
| C05 | N08 | C02 | H24 | 180.0° | 180.0° |
| N08 | C05 | C04 | H1 | 121.4° | 110.9° |
| N08 | C05 | C06 | H3 | 14.8° | 151.6° |
| N08 | C05 | C06 | H4 | 134.5° | 31.4° |
| C05 | C04 | C09 | H1 | 115.3° | 120.5° |
| C05 | C04 | C09 | C10 | 151.6° | 162.0° |
| C04 | C05 | N08 | C02 | 3.9° | 5.4° |
| C05 | C04 | C09 | S07 | 20.4° | 37.2° |
| C04 | C05 | C06 | H3 | 131.5° | 94.8° |
| C04 | C05 | C06 | H4 | 108.8° | 145.0° |
| C05 | C04 | C09 | H5 | 95.6° | 75.4° |
| C05 | C04 | N03 | H23 | 178.2° | 176.4° |
| C04 | C05 | N08 | H24 | 176.1° | 174.6° |
| C04 | C09 | C10 | S07 | 128.4° | 119.5° |
| C04 | C09 | C10 | H5 | 113.5° | 122.6° |
| C04 | C09 | C10 | C11 | 138.9° | 96.7° |
| C04 | C09 | S07 | H5 | 116.1° | 112.7° |
| C09 | C04 | C05 | H2 | 117.6° | 113.7° |
| C04 | C09 | C10 | H6 | 101.2° | 26.4° |
| C04 | C09 | C10 | H7 | 18.9° | 141.8° |
| C09 | C04 | N03 | H23 | 67.6° | 59.0° |
| C09 | C10 | C11 | H6 | 119.9° | 123.1° |
| C09 | C10 | C11 | H7 | 120.0° | 121.7° |
| C09 | C10 | C11 | C12 | 169.0° | 148.3° |
| C10 | C09 | S07 | H5 | 117.6° | 118.0° |
| C10 | C09 | C04 | H1 | 93.0° | 77.4° |
| C09 | C10 | H6 | H7 | 120.1° | 116.2° |
| C09 | C10 | C11 | H8 | 49.5° | 89.7° |
| C09 | C10 | C11 | H9 | 71.6° | 26.3° |
| C10 | C11 | C12 | H8 | 119.4° | 122.0° |
| C10 | C11 | C12 | H9 | 119.5° | 122.7° |
| C10 | C11 | C12 | C13 | 167.8° | 166.3° |
| C11 | C10 | C09 | S07 | 92.8° | 143.8° |
| C11 | C10 | C09 | H5 | 25.4° | 25.9° |
| C11 | C10 | H6 | H7 | 120.2° | 115.8° |
| C10 | C11 | H8 | H9 | 121.6° | 117.4° |
| C10 | C11 | C12 | H10 | 47.8° | 71.9° |
| C10 | C11 | C12 | H11 | 72.3° | 44.3° |
| C11 | C12 | C13 | H10 | 120.0° | 121.7° |
| C11 | C12 | C13 | H11 | 120.0° | 122.1° |
| C11 | C12 | C13 | C14 | 66.5° | 176.9° |
| C12 | C11 | C10 | H6 | 71.1° | 25.2° |
| C12 | C11 | C10 | H7 | 49.0° | 90.0° |
| C12 | C11 | H8 | H9 | 121.6° | 116.1° |
| C11 | C12 | H10 | H11 | 120.0° | 117.1° |
| C11 | C12 | C13 | H12 | 53.0° | 58.7° |
| C11 | C12 | C13 | H13 | 174.1° | 57.9° |
| C12 | C13 | C14 | H12 | 119.4° | 119.3° |
| C12 | C13 | C14 | H13 | 119.4° | 123.7° |
| C12 | C13 | C14 | N15 | 123.7° | 101.0° |
| C12 | C13 | C14 | O36 | 56.0° | 78.8° |
| C13 | C12 | C11 | H8 | 72.8° | 44.3° |
| C13 | C12 | C11 | H9 | 48.3° | 71.1° |
| C13 | C12 | H10 | H11 | 120.0° | 116.9° |
| C12 | C13 | H12 | H13 | 121.7° | 117.7° |
| C13 | C14 | N15 | C16 | 179.4° | 4.6° |
| C13 | C14 | N15 | O36 | 179.7° | 179.9° |
| C13 | C14 | N15 | C36 | 0.3° | 172.9° |
| C14 | C13 | C12 | H10 | 173.5° | 61.4° |
| C14 | C13 | C12 | H11 | 53.5° | 54.8° |
| C14 | C13 | H12 | H13 | 121.7° | 119.9° |
| N15 | C16 | C17 | H14 | 119.3° | 123.4° |
| N15 | C16 | C17 | H15 | 119.3° | 122.2° |
| N15 | C16 | C17 | C18 | 26.6° | 50.0° |
| C16 | N15 | C14 | C36 | 179.7° | 177.5° |
| C16 | N15 | C14 | O36 | 0.3° | 175.3° |
| N15 | C16 | C17 | C27 | 152.5° | 131.8° |
| N15 | C16 | H14 | H15 | 122.1° | 115.5° |
| C16 | N15 | C36 | H29 | 180.0° | 0.0° |
| C16 | N15 | C36 | H30 | 60.0° | 120.8° |
| C16 | N15 | C36 | H31 | 60.0° | 120.9° |
| C16 | C17 | C18 | C27 | 179.1° | 178.3° |
| C16 | C17 | C18 | C19 | 179.4° | 179.5° |
| C16 | C17 | C27 | C26 | 179.5° | 179.1° |
| C16 | C17 | C27 | C28 | 1.0° | 1.2° |
| C17 | C16 | N15 | C14 | 107.4° | 70.7° |
| C17 | C16 | N15 | C36 | 72.8° | 111.7° |
| C17 | C16 | H14 | H15 | 122.1° | 116.3° |
| C16 | C17 | C18 | H16 | 0.7° | 1.4° |
| C17 | C18 | C19 | H16 | 180.0° | 179.2° |
| C17 | C18 | C19 | N20 | 0.1° | 0.8° |
| C18 | C17 | C27 | C26 | 0.4° | 0.9° |
| C18 | C17 | C27 | C28 | 179.9° | 179.3° |
| C18 | C17 | C16 | H14 | 92.7° | 73.4° |
| C18 | C17 | C16 | H15 | 145.9° | 172.2° |
| C17 | C18 | C19 | H17 | 179.9° | 179.4° |
| C18 | C19 | N20 | H17 | 180.0° | 179.8° |
| C18 | C19 | N20 | NI21 | 179.9° | 177.5° |
| C18 | C19 | N20 | C26 | 0.2° | 0.2° |
| C19 | C18 | C17 | C27 | 0.2° | 1.1° |
| C19 | N20 | NI21 | O22 | 90.9° | 90.0° |
| C19 | N20 | NI21 | O23 | 89.3° | 90.7° |
| C19 | N20 | NI21 | O24 | 0.6° | 0.9° |
| C19 | N20 | NI21 | O25 | 2.2° | 178.7° |
| C19 | N20 | NI21 | C26 | 179.7° | 177.8° |
| C19 | N20 | C26 | C27 | 0.0° | 0.0° |
| C19 | N20 | NI21 | N32 | 179.8° | 179.8° |
| C19 | N20 | C26 | C31 | 179.9° | 179.8° |
| N20 | C19 | C18 | H16 | 179.9° | 180.0° |
| O22 | NI21 | O23 | O24 | 122.2° | 95.8° |
| O22 | NI21 | O23 | O25 | 35.6° | 2.9° |
| O22 | NI21 | O23 | N20 | 155.5° | 170.3° |
| O22 | NI21 | O23 | N32 | 74.6° | 91.0° |
| O22 | NI21 | O24 | O25 | 89.1° | 87.9° |
| O22 | NI21 | O24 | N20 | 90.6° | 92.1° |
| O22 | NI21 | O24 | N32 | 89.3° | 97.9° |
| O22 | NI21 | O25 | N20 | 88.9° | 88.9° |
| O22 | NI21 | O25 | N32 | 89.1° | 90.0° |
| O22 | NI21 | N20 | N32 | 89.3° | 89.7° |
| O22 | NI21 | N20 | C26 | 89.4° | 87.8° |
| O22 | NI21 | N32 | C31 | 90.7° | 90.1° |
| O22 | NI21 | N32 | C33 | 88.8° | 88.0° |
| O22 | NI21 | O24 | H25 | 180.0° | 24.6° |
| O22 | NI21 | O25 | H26 | 180.0° | 37.0° |
| NI21 | O22 | H27 | H28 | 120.0° | 120.3° |
| O22 | NI21 | O23 | H32 | 180.0° | 52.9° |
| O22 | NI21 | O23 | H33 | 60.0° | 64.4° |
| O22 | NI21 | O24 | H34 | 60.0° | 142.7° |
| O22 | NI21 | O25 | H35 | 60.0° | 154.4° |
| O23 | NI21 | O24 | O25 | 90.4° | 87.7° |
| O23 | NI21 | O24 | N20 | 89.9° | 92.4° |
| O23 | NI21 | O24 | N32 | 91.3° | 86.5° |
| O23 | NI21 | O25 | N20 | 91.5° | 90.8° |
| O23 | NI21 | O25 | N32 | 90.6° | 89.8° |
| O23 | NI21 | N20 | N32 | 90.4° | 89.5° |
| O23 | NI21 | N20 | C26 | 90.4° | 91.5° |
| O23 | NI21 | N32 | C31 | 89.9° | 94.4° |
| O23 | NI21 | N32 | C33 | 90.6° | 87.5° |
| O23 | NI21 | O24 | H25 | 0.5° | 150.9° |
| O23 | NI21 | O25 | H26 | 0.3° | 142.8° |
| O23 | NI21 | O22 | H27 | 180.0° | 41.7° |
| O23 | NI21 | O22 | H28 | 60.0° | 76.4° |
| NI21 | O23 | H32 | H33 | 120.0° | 119.1° |
| O23 | NI21 | O24 | H34 | 120.5° | 32.8° |
| O23 | NI21 | O25 | H35 | 120.3° | 25.4° |
| O24 | NI21 | O25 | N20 | 1.5° | 179.6° |
| O24 | NI21 | O25 | N32 | 179.5° | 179.3° |
| O24 | NI21 | N20 | N32 | 179.6° | 179.3° |
| O24 | NI21 | N20 | C26 | 179.7° | 178.7° |
| O24 | NI21 | N32 | C31 | 1.3° | 7.8° |
| O24 | NI21 | N32 | C33 | 178.2° | 174.0° |
| NI21 | O24 | H25 | H34 | 120.0° | 119.7° |
| O24 | NI21 | O25 | H26 | 89.6° | 127.7° |
| O24 | NI21 | O22 | H27 | 57.8° | 137.4° |
| O24 | NI21 | O22 | H28 | 177.8° | 19.4° |
| O24 | NI21 | O23 | H32 | 57.8° | 148.7° |
| O24 | NI21 | O23 | H33 | 62.2° | 31.4° |
| O24 | NI21 | O25 | H35 | 30.4° | 114.9° |
| O25 | NI21 | N20 | N32 | 178.1° | 1.1° |
| O25 | NI21 | N20 | C26 | 178.1° | 0.9° |
| O25 | NI21 | N32 | C31 | 179.5° | 178.0° |
| O25 | NI21 | N32 | C33 | 0.0° | 0.2° |
| O25 | NI21 | O24 | H25 | 90.9° | 63.3° |
| NI21 | O25 | H26 | H35 | 120.0° | 118.7° |
| O25 | NI21 | O22 | H27 | 144.4° | 44.5° |
| O25 | NI21 | O22 | H28 | 95.6° | 73.5° |
| O25 | NI21 | O23 | H32 | 144.4° | 55.8° |
| O25 | NI21 | O23 | H33 | 24.4° | 61.5° |
| O25 | NI21 | O24 | H34 | 149.1° | 54.8° |
| NI21 | N20 | C26 | C27 | 179.7° | 178.1° |
| N20 | NI21 | N32 | C31 | 0.1° | 1.9° |
| N20 | NI21 | N32 | C33 | 179.6° | 180.0° |
| NI21 | N20 | C26 | C31 | 0.2° | 1.8° |
| NI21 | N20 | C19 | H17 | 0.1° | 2.2° |
| N20 | NI21 | O24 | H25 | 89.4° | 116.7° |
| N20 | NI21 | O25 | H26 | 91.1° | 52.0° |
| N20 | NI21 | O22 | H27 | 24.5° | 128.6° |
| N20 | NI21 | O22 | H28 | 95.5° | 113.3° |
| N20 | NI21 | O23 | H32 | 24.4° | 117.4° |
| N20 | NI21 | O23 | H33 | 144.5° | 125.4° |
| N20 | NI21 | O24 | H34 | 30.6° | 125.2° |
| N20 | NI21 | O25 | H35 | 28.9° | 65.5° |
| N20 | C26 | C27 | C31 | 180.0° | 179.9° |
| N20 | C26 | C27 | C28 | 179.8° | 179.9° |
| N20 | C26 | C31 | C30 | 179.9° | 179.8° |
| N20 | C26 | C31 | N32 | 0.3° | 0.1° |
| N20 | C26 | C27 | C17 | 0.3° | 0.3° |
| C26 | N20 | NI21 | N32 | 0.1° | 2.0° |
| C26 | N20 | C19 | H17 | 179.8° | 179.9° |
| C26 | C27 | C28 | C17 | 179.5° | 179.7° |
| C26 | C27 | C28 | C29 | 0.5° | 0.1° |
| C27 | C26 | C31 | C30 | 0.0° | 0.1° |
| C27 | C26 | C31 | N32 | 179.6° | 179.8° |
| C26 | C27 | C28 | H18 | 179.5° | 179.8° |
| C27 | C28 | C29 | H18 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.0° |
| C28 | C27 | C26 | C31 | 0.3° | 0.0° |
| C27 | C28 | C29 | H19 | 179.5° | 180.0° |
| C28 | C29 | C30 | H19 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.2° |
| C29 | C28 | C27 | C17 | 180.0° | 179.8° |
| C28 | C29 | C30 | C35 | 179.9° | 180.0° |
| C29 | C30 | C31 | C35 | 180.0° | 179.9° |
| C29 | C30 | C31 | N32 | 179.7° | 179.8° |
| C29 | C30 | C35 | C34 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.1° | 0.2° |
| C30 | C29 | C28 | H18 | 179.6° | 179.9° |
| C29 | C30 | C35 | H22 | 0.0° | 0.0° |
| C30 | C31 | N32 | C26 | 179.6° | 179.7° |
| C30 | C31 | N32 | C33 | 0.6° | 0.3° |
| C31 | C30 | C35 | C34 | 0.1° | 0.1° |
| C30 | C31 | N32 | NI21 | 179.8° | 178.1° |
| C31 | C30 | C29 | H19 | 179.8° | 179.9° |
| C31 | C30 | C35 | H22 | 179.9° | 179.9° |
| C31 | N32 | C33 | NI21 | 179.5° | 178.1° |
| C31 | N32 | C33 | C34 | 0.6° | 0.2° |
| N32 | C31 | C30 | C35 | 0.2° | 0.3° |
| C31 | N32 | C33 | H20 | 179.4° | 179.9° |
| N32 | C33 | C34 | H20 | 180.0° | 179.9° |
| N32 | C33 | C34 | C35 | 0.3° | 0.1° |
| C33 | N32 | C31 | C26 | 179.8° | 180.0° |
| N32 | C33 | C34 | H21 | 179.7° | 179.9° |
| C33 | C34 | C35 | H21 | 180.0° | 180.0° |
| C34 | C33 | N32 | NI21 | 179.9° | 177.9° |
| C33 | C34 | C35 | C30 | 0.1° | 0.1° |
| C33 | C34 | C35 | H22 | 179.9° | 180.0° |
| C34 | C35 | C30 | H22 | 180.0° | 179.9° |
| C35 | C34 | C33 | H20 | 179.7° | 180.0° |
| N15 | C14 | C13 | H12 | 4.3° | 139.6° |
| N15 | C14 | C13 | H13 | 116.9° | 22.6° |
| C14 | N15 | C16 | H14 | 11.9° | 166.8° |
| C14 | N15 | C16 | H15 | 133.3° | 52.3° |
| C14 | N15 | C36 | H29 | 0.3° | 177.7° |
| C14 | N15 | C36 | H30 | 120.3° | 61.5° |
| C14 | N15 | C36 | H31 | 119.7° | 56.8° |
| O36 | C14 | N15 | C36 | 180.0° | 7.2° |
| O36 | C14 | C13 | H12 | 175.4° | 40.5° |
| O36 | C14 | C13 | H13 | 63.4° | 157.5° |
| C02 | N08 | C05 | H2 | 122.0° | 123.5° |
| N08 | C02 | N03 | H23 | 175.8° | 179.5° |
| S07 | C09 | C04 | H1 | 135.8° | 157.7° |
| C09 | S07 | C06 | H3 | 143.3° | 77.7° |
| C09 | S07 | C06 | H4 | 97.0° | 162.0° |
| S07 | C09 | C10 | H6 | 27.2° | 93.1° |
| S07 | C09 | C10 | H7 | 147.3° | 22.3° |
| C17 | C27 | C26 | C31 | 179.8° | 179.8° |
| C27 | C17 | C16 | H14 | 88.2° | 104.8° |
| C27 | C17 | C16 | H15 | 33.3° | 9.6° |
| C27 | C17 | C18 | H16 | 179.8° | 179.7° |
| C17 | C27 | C28 | H18 | 0.0° | 0.1° |
| NI21 | N32 | C31 | C26 | 0.2° | 1.6° |
| NI21 | N32 | C33 | H20 | 0.1° | 2.0° |
| N32 | NI21 | O24 | H25 | 90.7° | 122.5° |
| N32 | NI21 | O25 | H26 | 90.9° | 53.0° |
| N32 | NI21 | O22 | H27 | 105.4° | 49.3° |
| N32 | NI21 | O22 | H28 | 14.6° | 167.4° |
| N32 | NI21 | O23 | H32 | 105.4° | 38.1° |
| N32 | NI21 | O23 | H33 | 134.6° | 155.4° |
| N32 | NI21 | O24 | H34 | 29.3° | 119.4° |
| N32 | NI21 | O25 | H35 | 149.1° | 64.4° |
| C26 | C31 | C30 | C35 | 179.9° | 179.9° |
| C35 | C30 | C29 | H19 | 0.1° | 0.0° |
| C30 | C35 | C34 | H21 | 179.9° | 180.0° |
| C36 | N15 | C16 | H14 | 167.9° | 10.7° |
| C36 | N15 | C16 | H15 | 46.4° | 125.3° |
| N15 | C36 | H29 | H30 | 120.0° | 121.2° |
| N15 | C36 | H29 | H31 | 120.0° | 121.1° |
| N15 | C36 | H30 | H31 | 120.0° | 118.3° |
| H1 | C04 | C05 | H2 | 0.2° | 6.8° |
| H1 | C04 | C09 | H5 | 19.7° | 45.2° |
| H1 | C04 | N03 | H23 | 60.4° | 66.8° |
| H2 | C05 | C06 | H3 | 111.5° | 27.4° |
| H2 | C05 | C06 | H4 | 8.2° | 92.8° |
| H2 | C05 | N08 | H24 | 57.9° | 56.5° |
| H5 | C09 | C10 | H6 | 145.3° | 149.0° |
| H5 | C09 | C10 | H7 | 94.6° | 95.6° |
| H6 | C10 | C11 | H8 | 169.4° | 147.3° |
| H6 | C10 | C11 | H9 | 48.4° | 96.8° |
| H7 | C10 | C11 | H8 | 70.5° | 32.0° |
| H7 | C10 | C11 | H9 | 168.5° | 147.9° |
| H8 | C11 | C12 | H10 | 167.2° | 166.1° |
| H8 | C11 | C12 | H11 | 47.2° | 77.7° |
| H9 | C11 | C12 | H10 | 71.7° | 50.8° |
| H9 | C11 | C12 | H11 | 168.3° | 167.0° |
| H10 | C12 | C13 | H12 | 67.0° | 179.6° |
| H10 | C12 | C13 | H13 | 54.1° | 63.8° |
| H11 | C12 | C13 | H12 | 172.9° | 63.4° |
| H11 | C12 | C13 | H13 | 65.9° | 179.9° |
| H16 | C18 | C19 | H17 | 0.1° | 0.3° |
| H18 | C28 | C29 | H19 | 0.5° | 0.1° |
| H20 | C33 | C34 | H21 | 0.3° | 0.0° |
| H21 | C34 | C35 | H22 | 0.0° | 0.0° |
| H29 | C36 | H30 | H31 | 120.0° | 117.4° |
