QQL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | N21 | sing | 1.22Å | 1.22Å | |
| O22 | N21 | doub | 1.22Å | 1.22Å | |
| N21 | C20 | sing | 1.47Å | 1.59Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | C11 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | N10 | sing | 1.46Å | 1.52Å | |
| O18 | C17 | doub | 1.21Å | 1.23Å | |
| N10 | C09 | sing | 1.35Å | 1.35Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C17 | C13 | sing | 1.51Å | 1.59Å | |
| C17 | N16 | sing | 1.34Å | 1.41Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C09 | C04 | sing | 1.51Å | 1.54Å | |
| C09 | O24 | doub | 1.21Å | 1.23Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| N16 | C15 | sing | 1.47Å | 1.52Å | |
| C14 | C15 | sing | 1.54Å | 1.57Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| N03 | C02 | sing | 1.35Å | 1.39Å | |
| C02 | C25 | sing | 1.47Å | 1.60Å | |
| C25 | N35 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| N35 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.44Å | Aromatic |
| C34 | C27 | doub | 1.41Å | 1.44Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.45Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.48Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.41Å | |
| C28 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| O29 | C30 | sing | 1.43Å | 1.46Å | |
| C32 | C31 | sing | 1.39Å | 1.46Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| N10 | H18 | sing | 0.97Å | 1.00Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| N16 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| N35 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | N21 | O22 | 126.1° | 120.0° |
| O23 | N21 | C20 | 112.9° | 120.0° |
| O22 | N21 | C20 | 121.1° | 120.0° |
| N21 | C20 | C19 | 116.7° | 109.5° |
| N21 | C20 | H4 | 107.6° | 109.4° |
| N21 | C20 | H5 | 107.7° | 109.5° |
| C20 | C19 | C11 | 111.6° | 109.5° |
| C19 | C20 | H4 | 107.6° | 109.5° |
| C19 | C20 | H5 | 107.6° | 109.5° |
| C20 | C19 | H25 | 108.9° | 109.5° |
| C20 | C19 | H26 | 108.9° | 109.5° |
| C19 | C11 | C12 | 115.3° | 109.5° |
| C19 | C11 | N10 | 105.5° | 109.4° |
| C19 | C11 | H19 | 107.0° | 109.5° |
| C11 | C19 | H25 | 109.0° | 109.5° |
| C11 | C19 | H26 | 109.0° | 109.5° |
| C07 | C06 | C08 | 111.7° | 109.5° |
| C07 | C06 | C05 | 111.4° | 109.5° |
| C07 | C06 | H11 | 107.8° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.4° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.4° |
| C12 | C11 | N10 | 114.2° | 109.4° |
| C12 | C11 | H19 | 107.1° | 109.5° |
| C11 | C12 | H20 | 109.0° | 109.5° |
| C11 | C12 | H21 | 109.0° | 109.5° |
| C12 | C13 | C17 | 114.2° | 110.6° |
| C12 | C13 | C14 | 111.9° | 110.5° |
| C12 | C13 | H1 | 108.4° | 110.4° |
| C13 | C12 | H20 | 109.0° | 109.5° |
| C13 | C12 | H21 | 109.0° | 109.5° |
| C11 | N10 | C09 | 125.8° | 119.9° |
| C11 | N10 | H18 | 117.1° | 120.1° |
| N10 | C11 | H19 | 107.2° | 109.5° |
| O18 | C17 | C13 | 123.0° | 125.0° |
| O18 | C17 | N16 | 126.8° | 124.9° |
| N10 | C09 | C04 | 118.1° | 120.0° |
| N10 | C09 | O24 | 123.4° | 120.1° |
| C09 | N10 | H18 | 117.1° | 120.0° |
| C08 | C06 | C05 | 110.6° | 109.4° |
| C08 | C06 | H11 | 107.5° | 109.5° |
| C06 | C08 | H15 | 109.5° | 109.5° |
| C06 | C08 | H16 | 109.5° | 109.5° |
| C06 | C08 | H17 | 109.5° | 109.5° |
| C06 | C05 | C04 | 113.6° | 109.5° |
| C06 | C05 | H9 | 108.4° | 109.4° |
| C06 | C05 | H10 | 108.4° | 109.5° |
| C05 | C06 | H11 | 107.6° | 109.5° |
| C13 | C17 | N16 | 110.2° | 110.1° |
| C17 | C13 | C14 | 105.3° | 104.2° |
| C17 | C13 | H1 | 108.2° | 110.5° |
| C17 | N16 | C15 | 109.9° | 111.3° |
| C17 | N16 | H24 | 125.0° | 124.4° |
| C05 | C04 | C09 | 109.5° | 109.5° |
| C05 | C04 | N03 | 114.3° | 109.5° |
| C05 | C04 | H8 | 107.7° | 109.5° |
| C04 | C05 | H9 | 108.4° | 109.4° |
| C04 | C05 | H10 | 108.4° | 109.5° |
| C13 | C14 | C15 | 105.6° | 101.8° |
| C14 | C13 | H1 | 108.7° | 110.5° |
| C13 | C14 | H22 | 110.4° | 110.9° |
| C13 | C14 | H23 | 110.4° | 111.0° |
| C04 | C09 | O24 | 118.5° | 120.0° |
| C09 | C04 | N03 | 108.7° | 109.5° |
| C09 | C04 | H8 | 107.6° | 109.5° |
| C04 | N03 | C02 | 123.1° | 120.0° |
| C04 | N03 | H7 | 118.5° | 120.0° |
| N03 | C04 | H8 | 108.8° | 109.4° |
| N16 | C15 | C14 | 107.3° | 105.5° |
| N16 | C15 | H2 | 110.0° | 110.3° |
| N16 | C15 | H3 | 110.0° | 110.3° |
| C15 | N16 | H24 | 125.0° | 124.3° |
| C14 | C15 | H2 | 110.0° | 110.3° |
| C14 | C15 | H3 | 110.0° | 110.2° |
| C15 | C14 | H22 | 110.4° | 110.9° |
| C15 | C14 | H23 | 110.4° | 111.0° |
| O01 | C02 | N03 | 117.5° | 120.0° |
| O01 | C02 | C25 | 122.4° | 120.0° |
| N03 | C02 | C25 | 120.1° | 120.0° |
| C02 | N03 | H7 | 118.4° | 120.0° |
| C02 | C25 | N35 | 125.3° | 125.5° |
| C02 | C25 | C26 | 128.9° | 125.4° |
| N35 | C25 | C26 | 105.8° | 109.1° |
| C25 | N35 | C34 | 109.9° | 108.7° |
| C25 | N35 | H33 | 125.1° | 125.6° |
| C25 | C26 | C27 | 112.1° | 107.8° |
| C25 | C26 | H6 | 124.0° | 126.2° |
| N35 | C34 | C27 | 108.2° | 107.4° |
| N35 | C34 | C33 | 131.7° | 133.0° |
| C34 | N35 | H33 | 125.1° | 125.7° |
| C26 | C27 | C34 | 104.1° | 107.0° |
| C26 | C27 | C28 | 135.8° | 133.4° |
| C27 | C26 | H6 | 123.9° | 126.1° |
| C27 | C34 | C33 | 120.1° | 119.6° |
| C34 | C27 | C28 | 120.2° | 119.6° |
| C34 | C33 | C32 | 119.1° | 120.0° |
| C34 | C33 | H32 | 120.5° | 120.0° |
| C27 | C28 | O29 | 119.3° | 120.2° |
| C27 | C28 | C31 | 118.4° | 119.6° |
| C33 | C32 | C31 | 121.6° | 120.8° |
| C33 | C32 | H31 | 119.2° | 119.6° |
| C32 | C33 | H32 | 120.5° | 120.0° |
| O29 | C28 | C31 | 122.2° | 120.2° |
| C28 | O29 | C30 | 117.7° | 117.0° |
| C28 | C31 | C32 | 120.6° | 120.4° |
| C28 | C31 | H30 | 119.7° | 119.8° |
| O29 | C30 | H27 | 109.5° | 109.5° |
| O29 | C30 | H28 | 109.5° | 109.4° |
| O29 | C30 | H29 | 109.5° | 109.5° |
| C32 | C31 | H30 | 119.7° | 119.8° |
| C31 | C32 | H31 | 119.2° | 119.6° |
| H2 | C15 | H3 | 109.4° | 110.2° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H12 | C07 | H14 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.4° | 109.5° |
| H15 | C08 | H17 | 109.5° | 109.4° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 110.9° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H27 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | N21 | O22 | C20 | 179.7° | 180.0° |
| O23 | N21 | C20 | C19 | 22.8° | 135.0° |
| O23 | N21 | C20 | H4 | 98.3° | 105.0° |
| O23 | N21 | C20 | H5 | 143.8° | 15.0° |
| O22 | N21 | C20 | C19 | 157.0° | 45.0° |
| O22 | N21 | C20 | H4 | 82.0° | 75.0° |
| O22 | N21 | C20 | H5 | 35.9° | 165.0° |
| N21 | C20 | C19 | H4 | 121.0° | 119.9° |
| N21 | C20 | C19 | H5 | 121.1° | 120.0° |
| N21 | C20 | C19 | C11 | 142.1° | 180.0° |
| N21 | C20 | H4 | H5 | 116.7° | 120.0° |
| N21 | C20 | C19 | H25 | 97.5° | 59.9° |
| N21 | C20 | C19 | H26 | 21.8° | 60.0° |
| C20 | C19 | C11 | H25 | 120.3° | 120.0° |
| C20 | C19 | C11 | H26 | 120.3° | 120.0° |
| C20 | C19 | C11 | C12 | 172.1° | 175.0° |
| C20 | C19 | C11 | N10 | 61.0° | 65.1° |
| C19 | C20 | H4 | H5 | 116.7° | 120.1° |
| C20 | C19 | C11 | H19 | 53.0° | 55.0° |
| C20 | C19 | H25 | H26 | 119.0° | 120.0° |
| C19 | C11 | C12 | N10 | 122.5° | 119.9° |
| C19 | C11 | C12 | H19 | 119.0° | 120.0° |
| C19 | C11 | C12 | C13 | 170.8° | 177.5° |
| C19 | C11 | N10 | H19 | 113.8° | 120.0° |
| C19 | C11 | N10 | C09 | 126.3° | 95.9° |
| C11 | C19 | C20 | H4 | 21.1° | 60.1° |
| C11 | C19 | C20 | H5 | 96.8° | 60.0° |
| C19 | C11 | N10 | H18 | 53.7° | 84.1° |
| C19 | C11 | C12 | H20 | 68.9° | 57.5° |
| C19 | C11 | C12 | H21 | 50.5° | 62.4° |
| C11 | C19 | H25 | H26 | 119.1° | 120.0° |
| C07 | C06 | C08 | C05 | 124.7° | 120.0° |
| C07 | C06 | C08 | H11 | 118.1° | 120.0° |
| C07 | C06 | C05 | H11 | 117.9° | 120.0° |
| C07 | C06 | C05 | C04 | 73.7° | 175.0° |
| C07 | C06 | C05 | H9 | 46.9° | 55.0° |
| C07 | C06 | C05 | H10 | 165.6° | 65.0° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 120.0° |
| C07 | C06 | C08 | H15 | 180.0° | 180.0° |
| C07 | C06 | C08 | H16 | 60.0° | 60.0° |
| C07 | C06 | C08 | H17 | 60.0° | 60.1° |
| C11 | C12 | C13 | H20 | 120.3° | 120.0° |
| C11 | C12 | C13 | H21 | 120.3° | 120.0° |
| C12 | C11 | N10 | H19 | 118.5° | 120.0° |
| C12 | C11 | N10 | C09 | 106.1° | 144.1° |
| C11 | C12 | C13 | C17 | 179.2° | 179.2° |
| C11 | C12 | C13 | C14 | 59.7° | 66.0° |
| C11 | C12 | C13 | H1 | 60.2° | 56.5° |
| C12 | C11 | N10 | H18 | 73.9° | 35.9° |
| C11 | C12 | H20 | H21 | 119.1° | 120.0° |
| C12 | C11 | C19 | H25 | 67.6° | 64.9° |
| C12 | C11 | C19 | H26 | 51.8° | 55.0° |
| C13 | C12 | C11 | N10 | 66.8° | 62.5° |
| C12 | C13 | C17 | O18 | 49.5° | 45.1° |
| C12 | C13 | C17 | C14 | 123.2° | 118.8° |
| C12 | C13 | C17 | H1 | 120.7° | 122.6° |
| C12 | C13 | C17 | N16 | 130.1° | 135.0° |
| C12 | C13 | C14 | H1 | 119.7° | 122.5° |
| C12 | C13 | C14 | C15 | 136.2° | 143.6° |
| C13 | C12 | C11 | H19 | 51.8° | 57.5° |
| C13 | C12 | H20 | H21 | 119.2° | 120.1° |
| C12 | C13 | C14 | H22 | 16.7° | 25.5° |
| C12 | C13 | C14 | H23 | 104.4° | 98.3° |
| C11 | N10 | C09 | H18 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 177.9° | 180.0° |
| C11 | N10 | C09 | O24 | 1.6° | 0.0° |
| N10 | C11 | C12 | H20 | 53.5° | 177.5° |
| N10 | C11 | C12 | H21 | 173.0° | 57.5° |
| N10 | C11 | C19 | H25 | 59.4° | 55.0° |
| N10 | C11 | C19 | H26 | 178.7° | 175.0° |
| O18 | C17 | C13 | N16 | 179.5° | 179.9° |
| O18 | C17 | C13 | C14 | 172.7° | 163.8° |
| O18 | C17 | N16 | C15 | 179.4° | 179.5° |
| O18 | C17 | C13 | H1 | 71.2° | 77.5° |
| O18 | C17 | N16 | H24 | 0.6° | 0.5° |
| N10 | C09 | C04 | C05 | 87.3° | 60.0° |
| N10 | C09 | C04 | O24 | 179.5° | 180.0° |
| N10 | C09 | C04 | N03 | 147.1° | 180.0° |
| N10 | C09 | C04 | H8 | 29.5° | 60.0° |
| C09 | N10 | C11 | H19 | 12.4° | 24.1° |
| C08 | C06 | C05 | H11 | 117.2° | 120.0° |
| C08 | C06 | C05 | C04 | 161.4° | 65.0° |
| C08 | C06 | C05 | H9 | 78.0° | 175.0° |
| C08 | C06 | C05 | H10 | 40.8° | 55.0° |
| C08 | C06 | C07 | H12 | 180.0° | 60.0° |
| C08 | C06 | C07 | H13 | 60.0° | 180.0° |
| C08 | C06 | C07 | H14 | 60.0° | 60.0° |
| C06 | C08 | H15 | H16 | 120.0° | 120.1° |
| C06 | C08 | H15 | H17 | 120.0° | 120.0° |
| C06 | C08 | H16 | H17 | 120.0° | 120.1° |
| C06 | C05 | C04 | H9 | 120.6° | 120.0° |
| C06 | C05 | C04 | H10 | 120.6° | 120.0° |
| C06 | C05 | C04 | C09 | 168.5° | 175.0° |
| C06 | C05 | C04 | N03 | 69.2° | 64.9° |
| C06 | C05 | C04 | H8 | 51.7° | 55.0° |
| C06 | C05 | H9 | H10 | 118.1° | 120.0° |
| C05 | C06 | C07 | H12 | 55.8° | 180.0° |
| C05 | C06 | C07 | H13 | 175.7° | 60.1° |
| C05 | C06 | C07 | H14 | 64.2° | 60.0° |
| C05 | C06 | C08 | H15 | 55.3° | 60.0° |
| C05 | C06 | C08 | H16 | 64.7° | 180.0° |
| C05 | C06 | C08 | H17 | 175.3° | 59.9° |
| C17 | C13 | C14 | H1 | 115.7° | 118.7° |
| C13 | C17 | N16 | C15 | 1.1° | 0.3° |
| C17 | C13 | C14 | C15 | 11.5° | 24.8° |
| C17 | C13 | C12 | H20 | 60.5° | 60.9° |
| C17 | C13 | C12 | H21 | 59.0° | 59.2° |
| C17 | C13 | C14 | H22 | 107.9° | 93.3° |
| C17 | C13 | C14 | H23 | 130.9° | 143.0° |
| C13 | C17 | N16 | H24 | 178.9° | 179.6° |
| N16 | C17 | C13 | C14 | 6.9° | 16.3° |
| C17 | N16 | C15 | H24 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 8.5° | 16.9° |
| N16 | C17 | C13 | H1 | 109.2° | 102.4° |
| C17 | N16 | C15 | H2 | 111.2° | 136.0° |
| C17 | N16 | C15 | H3 | 128.2° | 102.1° |
| C05 | C04 | C09 | N03 | 125.6° | 120.1° |
| C05 | C04 | C09 | H8 | 116.8° | 120.0° |
| C05 | C04 | C09 | O24 | 92.1° | 120.1° |
| C05 | C04 | N03 | H8 | 120.4° | 120.0° |
| C05 | C04 | N03 | C02 | 173.4° | 84.9° |
| C05 | C04 | N03 | H7 | 6.6° | 95.0° |
| C04 | C05 | H9 | H10 | 118.1° | 120.0° |
| C04 | C05 | C06 | H11 | 44.2° | 54.9° |
| C13 | C14 | C15 | N16 | 12.5° | 25.4° |
| C13 | C14 | C15 | H22 | 119.4° | 118.1° |
| C13 | C14 | C15 | H23 | 119.4° | 118.1° |
| C13 | C14 | C15 | H2 | 107.2° | 144.4° |
| C13 | C14 | C15 | H3 | 132.2° | 93.7° |
| C14 | C13 | C12 | H20 | 180.0° | 54.0° |
| C14 | C13 | C12 | H21 | 60.6° | 174.0° |
| C13 | C14 | H22 | H23 | 121.8° | 123.8° |
| C09 | C04 | N03 | H8 | 116.9° | 120.0° |
| C09 | C04 | N03 | C02 | 63.9° | 155.0° |
| C09 | C04 | N03 | H7 | 116.1° | 25.0° |
| C09 | C04 | C05 | H9 | 47.9° | 65.0° |
| C09 | C04 | C05 | H10 | 70.9° | 55.0° |
| C04 | C09 | N10 | H18 | 2.1° | 0.0° |
| O24 | C09 | C04 | N03 | 33.4° | 0.0° |
| O24 | C09 | C04 | H8 | 151.1° | 119.9° |
| O24 | C09 | N10 | H18 | 178.5° | 180.0° |
| C04 | N03 | C02 | O01 | 0.1° | 0.1° |
| C04 | N03 | C02 | H7 | 180.0° | 179.9° |
| C04 | N03 | C02 | C25 | 179.9° | 180.0° |
| N03 | C04 | C05 | H9 | 170.2° | 55.1° |
| N03 | C04 | C05 | H10 | 51.4° | 175.0° |
| N16 | C15 | C14 | H2 | 119.7° | 119.0° |
| N16 | C15 | C14 | H3 | 119.7° | 119.1° |
| N16 | C15 | H2 | H3 | 121.0° | 122.0° |
| N16 | C15 | C14 | H22 | 107.0° | 92.7° |
| N16 | C15 | C14 | H23 | 131.8° | 143.5° |
| C15 | C14 | C13 | H1 | 104.2° | 93.9° |
| C14 | C15 | H2 | H3 | 121.0° | 121.9° |
| C15 | C14 | H22 | H23 | 121.8° | 123.8° |
| C14 | C15 | N16 | H24 | 171.5° | 163.0° |
| O01 | C02 | N03 | C25 | 179.8° | 179.9° |
| O01 | C02 | C25 | N35 | 1.9° | 180.0° |
| O01 | C02 | C25 | C26 | 178.4° | 0.1° |
| O01 | C02 | N03 | H7 | 179.9° | 180.0° |
| N03 | C02 | C25 | N35 | 178.3° | 0.1° |
| N03 | C02 | C25 | C26 | 1.4° | 180.0° |
| C02 | N03 | C04 | H8 | 53.0° | 35.1° |
| C02 | C25 | N35 | C26 | 179.8° | 179.9° |
| C02 | C25 | N35 | C34 | 179.8° | 179.8° |
| C02 | C25 | C26 | C27 | 179.8° | 180.0° |
| C02 | C25 | C26 | H6 | 0.2° | 0.2° |
| C25 | C02 | N03 | H7 | 0.1° | 0.1° |
| C02 | C25 | N35 | H33 | 0.2° | 0.1° |
| C25 | N35 | C34 | H33 | 180.0° | 179.7° |
| N35 | C25 | C26 | C27 | 0.1° | 0.1° |
| C25 | N35 | C34 | C27 | 0.1° | 0.3° |
| C25 | N35 | C34 | C33 | 179.9° | 180.0° |
| N35 | C25 | C26 | H6 | 179.9° | 179.7° |
| C26 | C25 | N35 | C34 | 0.1° | 0.2° |
| C25 | C26 | C27 | H6 | 180.0° | 179.8° |
| C25 | C26 | C27 | C34 | 0.1° | 0.1° |
| C25 | C26 | C27 | C28 | 179.8° | 179.8° |
| C26 | C25 | N35 | H33 | 179.9° | 180.0° |
| N35 | C34 | C27 | C26 | 0.0° | 0.3° |
| N35 | C34 | C27 | C33 | 179.9° | 179.7° |
| N35 | C34 | C27 | C28 | 179.9° | 179.6° |
| N35 | C34 | C33 | C32 | 179.6° | 179.5° |
| N35 | C34 | C33 | H32 | 0.4° | 0.4° |
| C26 | C27 | C34 | C28 | 179.9° | 179.9° |
| C26 | C27 | C34 | C33 | 180.0° | 180.0° |
| C26 | C27 | C28 | O29 | 1.2° | 0.1° |
| C26 | C27 | C28 | C31 | 179.7° | 180.0° |
| C27 | C34 | C33 | C32 | 0.4° | 0.1° |
| C34 | C27 | C28 | O29 | 178.9° | 180.0° |
| C34 | C27 | C28 | C31 | 0.2° | 0.1° |
| C34 | C27 | C26 | H6 | 179.9° | 179.9° |
| C27 | C34 | C33 | H32 | 179.6° | 179.9° |
| C27 | C34 | N35 | H33 | 180.0° | 179.9° |
| C33 | C34 | C27 | C28 | 0.0° | 0.1° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.4° | 0.1° |
| C34 | C33 | C32 | H31 | 179.6° | 180.0° |
| C33 | C34 | N35 | H33 | 0.1° | 0.2° |
| C27 | C28 | O29 | C31 | 179.1° | 179.9° |
| C27 | C28 | O29 | C30 | 132.1° | 180.0° |
| C27 | C28 | C31 | C32 | 0.2° | 0.1° |
| C28 | C27 | C26 | H6 | 0.2° | 0.0° |
| C27 | C28 | C31 | H30 | 179.8° | 180.0° |
| C33 | C32 | C31 | C28 | 0.2° | 0.1° |
| C33 | C32 | C31 | H31 | 180.0° | 179.9° |
| C33 | C32 | C31 | H30 | 179.8° | 180.0° |
| O29 | C28 | C31 | C32 | 178.9° | 180.0° |
| C28 | O29 | C30 | H27 | 180.0° | 60.0° |
| C28 | O29 | C30 | H28 | 60.0° | 180.0° |
| C28 | O29 | C30 | H29 | 60.0° | 60.0° |
| O29 | C28 | C31 | H30 | 1.1° | 0.1° |
| C31 | C28 | O29 | C30 | 46.9° | 0.0° |
| C28 | C31 | C32 | H30 | 180.0° | 179.9° |
| C28 | C31 | C32 | H31 | 179.8° | 180.0° |
| O29 | C30 | H27 | H28 | 120.1° | 119.9° |
| O29 | C30 | H27 | H29 | 120.0° | 120.0° |
| O29 | C30 | H28 | H29 | 120.0° | 119.9° |
| C31 | C32 | C33 | H32 | 179.6° | 179.9° |
| H1 | C13 | C12 | H20 | 60.1° | 176.5° |
| H1 | C13 | C12 | H21 | 179.6° | 63.5° |
| H1 | C13 | C14 | H22 | 136.4° | 148.0° |
| H1 | C13 | C14 | H23 | 15.2° | 24.2° |
| H2 | C15 | C14 | H22 | 133.3° | 26.3° |
| H2 | C15 | C14 | H23 | 12.1° | 97.4° |
| H2 | C15 | N16 | H24 | 68.9° | 43.9° |
| H3 | C15 | C14 | H22 | 12.7° | 148.2° |
| H3 | C15 | C14 | H23 | 108.5° | 24.4° |
| H3 | C15 | N16 | H24 | 51.8° | 78.0° |
| H4 | C20 | C19 | H25 | 141.4° | 60.0° |
| H4 | C20 | C19 | H26 | 99.2° | 179.9° |
| H5 | C20 | C19 | H25 | 23.5° | 179.9° |
| H5 | C20 | C19 | H26 | 142.9° | 60.0° |
| H7 | N03 | C04 | H8 | 126.9° | 145.0° |
| H8 | C04 | C05 | H9 | 68.9° | 175.0° |
| H8 | C04 | C05 | H10 | 172.4° | 65.0° |
| H9 | C05 | C06 | H11 | 164.8° | 65.0° |
| H10 | C05 | C06 | H11 | 76.5° | 175.0° |
| H11 | C06 | C07 | H12 | 62.1° | 60.0° |
| H11 | C06 | C07 | H13 | 57.9° | 60.0° |
| H11 | C06 | C07 | H14 | 177.9° | 180.0° |
| H11 | C06 | C08 | H15 | 61.9° | 60.0° |
| H11 | C06 | C08 | H16 | 178.1° | 60.0° |
| H11 | C06 | C08 | H17 | 58.1° | 179.9° |
| H12 | C07 | H13 | H14 | 120.0° | 120.0° |
| H15 | C08 | H16 | H17 | 120.0° | 119.9° |
| H18 | N10 | C11 | H19 | 167.5° | 155.9° |
| H19 | C11 | C12 | H20 | 172.1° | 62.5° |
| H19 | C11 | C12 | H21 | 68.5° | 177.5° |
| H19 | C11 | C19 | H25 | 173.3° | 175.0° |
| H19 | C11 | C19 | H26 | 67.3° | 65.0° |
| H27 | C30 | H28 | H29 | 119.9° | 120.1° |
| H30 | C31 | C32 | H31 | 0.2° | 0.1° |
| H31 | C32 | C33 | H32 | 0.4° | 0.0° |
