QZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.54Å | 1.43Å | |
| C16 | N15 | sing | 1.47Å | 1.33Å | |
| C17 | C13 | sing | 1.55Å | 1.41Å | |
| O20 | C19 | sing | 1.43Å | 1.43Å | |
| N15 | C14 | sing | 1.34Å | 1.38Å | |
| O21 | C09 | doub | 1.21Å | 1.17Å | |
| C19 | C11 | sing | 1.53Å | 1.60Å | |
| C11 | C12 | sing | 1.53Å | 1.61Å | |
| C11 | N10 | sing | 1.47Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.42Å | |
| C13 | C14 | sing | 1.51Å | 1.43Å | |
| C14 | O18 | doub | 1.21Å | 1.17Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C29 | sing | 1.53Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C09 | N10 | sing | 1.35Å | 1.37Å | |
| C09 | C04 | sing | 1.51Å | 1.55Å | |
| N03 | C02 | sing | 1.35Å | 1.30Å | |
| N03 | C04 | sing | 1.46Å | 1.38Å | |
| O22 | C23 | sing | 1.45Å | 1.36Å | |
| O22 | C02 | sing | 1.35Å | 1.30Å | |
| C23 | C30 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C29 | C30 | sing | 1.53Å | 1.46Å | |
| C08 | C06 | sing | 1.53Å | 1.46Å | |
| C06 | C07 | sing | 1.53Å | 1.47Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| N15 | H38 | sing | 0.97Å | 1.00Å | |
| O20 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | N15 | 105.3° | 105.5° |
| C16 | C17 | C13 | 107.9° | 101.8° |
| C17 | C16 | H15 | 110.5° | 110.3° |
| C17 | C16 | H16 | 110.5° | 110.3° |
| C16 | C17 | H17 | 109.9° | 111.0° |
| C16 | C17 | H18 | 109.9° | 111.0° |
| C16 | N15 | C14 | 113.6° | 111.3° |
| N15 | C16 | H15 | 110.5° | 110.2° |
| N15 | C16 | H16 | 110.5° | 110.3° |
| C16 | N15 | H38 | 123.2° | 124.4° |
| C17 | C13 | C12 | 113.8° | 110.5° |
| C17 | C13 | C14 | 106.0° | 104.2° |
| C17 | C13 | H4 | 109.9° | 110.6° |
| C13 | C17 | H17 | 109.8° | 111.0° |
| C13 | C17 | H18 | 109.9° | 111.0° |
| O20 | C19 | C11 | 108.6° | 109.5° |
| O20 | C19 | H19 | 109.7° | 109.5° |
| O20 | C19 | H20 | 109.7° | 109.5° |
| C19 | O20 | H39 | 109.5° | 114.0° |
| N15 | C14 | C13 | 105.1° | 110.1° |
| N15 | C14 | O18 | 128.9° | 125.0° |
| C14 | N15 | H38 | 123.2° | 124.3° |
| O21 | C09 | N10 | 117.6° | 120.0° |
| O21 | C09 | C04 | 118.1° | 120.0° |
| C19 | C11 | C12 | 119.8° | 109.5° |
| C19 | C11 | N10 | 109.0° | 109.4° |
| C19 | C11 | H1 | 105.1° | 109.5° |
| C11 | C19 | H19 | 109.7° | 109.5° |
| C11 | C19 | H20 | 109.7° | 109.5° |
| C12 | C11 | N10 | 110.2° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.4° |
| C12 | C11 | H1 | 104.9° | 109.5° |
| C11 | C12 | H2 | 108.7° | 109.5° |
| C11 | C12 | H3 | 108.7° | 109.5° |
| C11 | N10 | C09 | 121.9° | 120.0° |
| N10 | C11 | H1 | 107.0° | 109.5° |
| C11 | N10 | H37 | 119.1° | 120.0° |
| C24 | C25 | C26 | 113.1° | 109.5° |
| C25 | C24 | C23 | 114.2° | 109.5° |
| C25 | C24 | H22 | 108.3° | 109.5° |
| C25 | C24 | H23 | 108.3° | 109.5° |
| C24 | C25 | H24 | 108.6° | 109.5° |
| C24 | C25 | H25 | 108.5° | 109.5° |
| C25 | C26 | C27 | 110.9° | 109.5° |
| C25 | C26 | C29 | 110.9° | 109.5° |
| C26 | C25 | H24 | 108.5° | 109.4° |
| C26 | C25 | H25 | 108.6° | 109.5° |
| C25 | C26 | H26 | 108.2° | 109.5° |
| C24 | C23 | O22 | 108.9° | 109.5° |
| C24 | C23 | C30 | 112.3° | 109.4° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C23 | C24 | H22 | 108.3° | 109.4° |
| C23 | C24 | H23 | 108.3° | 109.5° |
| C12 | C13 | C14 | 107.7° | 110.5° |
| C13 | C12 | H2 | 108.7° | 109.5° |
| C13 | C12 | H3 | 108.7° | 109.5° |
| C12 | C13 | H4 | 109.7° | 110.5° |
| C13 | C14 | O18 | 125.2° | 124.9° |
| C14 | C13 | H4 | 109.6° | 110.5° |
| C27 | C26 | C29 | 109.7° | 109.4° |
| C26 | C27 | C28 | 114.9° | 109.5° |
| C27 | C26 | H26 | 108.4° | 109.5° |
| C26 | C27 | H27 | 108.1° | 109.5° |
| C26 | C27 | H28 | 108.1° | 109.5° |
| C26 | C29 | C30 | 113.0° | 109.4° |
| C29 | C26 | H26 | 108.6° | 109.4° |
| C26 | C29 | H32 | 108.6° | 109.4° |
| C26 | C29 | H33 | 108.6° | 109.4° |
| C28 | C27 | H27 | 108.1° | 109.5° |
| C28 | C27 | H28 | 108.1° | 109.4° |
| C27 | C28 | H29 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.5° |
| C27 | C28 | H31 | 109.4° | 109.4° |
| N10 | C09 | C04 | 124.3° | 120.0° |
| C09 | N10 | H37 | 119.1° | 120.0° |
| C09 | C04 | N03 | 108.0° | 109.4° |
| C09 | C04 | C05 | 110.5° | 109.5° |
| C09 | C04 | H5 | 107.7° | 109.5° |
| C02 | N03 | C04 | 121.7° | 120.0° |
| N03 | C02 | O22 | 119.2° | 120.0° |
| N03 | C02 | O01 | 120.8° | 120.0° |
| C02 | N03 | H36 | 119.1° | 120.0° |
| N03 | C04 | C05 | 112.7° | 109.5° |
| N03 | C04 | H5 | 110.0° | 109.5° |
| C04 | N03 | H36 | 119.1° | 120.0° |
| C23 | O22 | C02 | 122.4° | 117.0° |
| O22 | C23 | C30 | 108.6° | 109.5° |
| O22 | C23 | H21 | 110.3° | 109.5° |
| O22 | C02 | O01 | 119.9° | 120.0° |
| C23 | C30 | C29 | 113.9° | 109.5° |
| C30 | C23 | H21 | 108.2° | 109.5° |
| C23 | C30 | H34 | 108.4° | 109.5° |
| C23 | C30 | H35 | 108.4° | 109.4° |
| C04 | C05 | C06 | 115.9° | 109.5° |
| C05 | C04 | H5 | 107.8° | 109.5° |
| C04 | C05 | H6 | 107.8° | 109.4° |
| C04 | C05 | H7 | 107.8° | 109.5° |
| C05 | C06 | C08 | 111.5° | 109.5° |
| C05 | C06 | C07 | 112.3° | 109.4° |
| C06 | C05 | H6 | 107.8° | 109.5° |
| C06 | C05 | H7 | 107.9° | 109.5° |
| C05 | C06 | H8 | 106.3° | 109.5° |
| C30 | C29 | H32 | 108.6° | 109.5° |
| C30 | C29 | H33 | 108.6° | 109.5° |
| C29 | C30 | H34 | 108.4° | 109.5° |
| C29 | C30 | H35 | 108.4° | 109.5° |
| C08 | C06 | C07 | 111.3° | 109.5° |
| C08 | C06 | H8 | 107.6° | 109.5° |
| C06 | C08 | H12 | 109.5° | 109.5° |
| C06 | C08 | H13 | 109.5° | 109.5° |
| C06 | C08 | H14 | 109.5° | 109.5° |
| C07 | C06 | H8 | 107.4° | 109.5° |
| C06 | C07 | H9 | 109.5° | 109.5° |
| C06 | C07 | H10 | 109.5° | 109.5° |
| C06 | C07 | H11 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.4° | 109.5° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H9 | C07 | H11 | 109.4° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H12 | C08 | H14 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.3° |
| H17 | C17 | H18 | 109.5° | 110.8° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.4° | 109.5° |
| H32 | C29 | H33 | 109.4° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | N15 | H15 | 119.4° | 119.0° |
| C17 | C16 | N15 | H16 | 119.3° | 119.0° |
| C16 | C17 | C13 | H17 | 119.8° | 118.2° |
| C16 | C17 | C13 | H18 | 119.7° | 118.1° |
| C17 | C16 | N15 | C14 | 4.5° | 17.0° |
| C16 | C17 | C13 | C12 | 133.0° | 93.9° |
| C16 | C17 | C13 | C14 | 14.9° | 24.8° |
| C16 | C17 | C13 | H4 | 103.5° | 143.5° |
| C17 | C16 | H15 | H16 | 121.9° | 122.0° |
| C16 | C17 | H17 | H18 | 120.7° | 123.8° |
| C17 | C16 | N15 | H38 | 175.5° | 163.0° |
| N15 | C16 | C17 | C13 | 12.1° | 25.4° |
| C16 | N15 | C14 | H38 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 4.6° | 0.4° |
| C16 | N15 | C14 | O18 | 174.6° | 179.6° |
| N15 | C16 | H15 | H16 | 121.9° | 122.0° |
| N15 | C16 | C17 | H17 | 131.8° | 143.6° |
| N15 | C16 | C17 | H18 | 107.7° | 92.8° |
| C17 | C13 | C14 | N15 | 11.8° | 16.3° |
| C17 | C13 | C12 | C11 | 63.3° | 178.7° |
| C17 | C13 | C12 | C14 | 117.2° | 114.8° |
| C17 | C13 | C12 | H4 | 123.6° | 122.7° |
| C17 | C13 | C14 | H4 | 118.6° | 118.8° |
| C17 | C13 | C14 | O18 | 177.7° | 163.8° |
| C17 | C13 | C12 | H2 | 176.3° | 61.3° |
| C17 | C13 | C12 | H3 | 57.2° | 58.8° |
| C13 | C17 | C16 | H15 | 131.4° | 93.6° |
| C13 | C17 | C16 | H16 | 107.3° | 144.4° |
| C13 | C17 | H17 | H18 | 120.7° | 123.8° |
| O20 | C19 | C11 | H19 | 119.9° | 120.0° |
| O20 | C19 | C11 | H20 | 119.9° | 120.0° |
| O20 | C19 | C11 | C12 | 48.3° | 55.0° |
| O20 | C19 | C11 | N10 | 176.4° | 65.0° |
| O20 | C19 | C11 | H1 | 69.2° | 175.0° |
| O20 | C19 | H19 | H20 | 120.4° | 120.0° |
| N15 | C14 | C13 | C12 | 134.0° | 102.4° |
| N15 | C14 | C13 | O18 | 170.5° | 179.9° |
| N15 | C14 | C13 | H4 | 106.7° | 135.1° |
| C14 | N15 | C16 | H15 | 123.9° | 102.0° |
| C14 | N15 | C16 | H16 | 114.8° | 136.0° |
| O21 | C09 | N10 | C11 | 2.2° | 5.6° |
| O21 | C09 | N10 | C04 | 177.8° | 179.9° |
| O21 | C09 | C04 | N03 | 40.0° | 22.0° |
| O21 | C09 | C04 | C05 | 83.6° | 98.0° |
| O21 | C09 | C04 | H5 | 158.8° | 142.0° |
| O21 | C09 | N10 | H37 | 177.8° | 174.5° |
| C19 | C11 | C12 | N10 | 127.6° | 120.0° |
| C19 | C11 | C12 | H1 | 117.6° | 120.0° |
| C19 | C11 | N10 | H1 | 113.1° | 120.0° |
| C19 | C11 | C12 | C13 | 170.9° | 175.0° |
| C19 | C11 | N10 | C09 | 114.2° | 85.0° |
| C19 | C11 | C12 | H2 | 68.7° | 65.0° |
| C19 | C11 | C12 | H3 | 50.4° | 55.0° |
| C11 | C19 | H19 | H20 | 120.4° | 120.0° |
| C19 | C11 | N10 | H37 | 65.8° | 95.0° |
| C11 | C19 | O20 | H39 | 180.0° | 180.0° |
| C12 | C11 | N10 | H1 | 113.5° | 120.0° |
| C11 | C12 | C13 | H2 | 120.4° | 120.0° |
| C11 | C12 | C13 | H3 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 179.6° | 66.5° |
| C12 | C11 | N10 | C09 | 112.5° | 155.0° |
| C11 | C12 | H2 | H3 | 118.6° | 120.0° |
| C11 | C12 | C13 | H4 | 60.3° | 56.1° |
| C12 | C11 | C19 | H19 | 168.1° | 175.0° |
| C12 | C11 | C19 | H20 | 71.6° | 65.0° |
| C12 | C11 | N10 | H37 | 67.5° | 24.9° |
| N10 | C11 | C12 | C13 | 61.5° | 65.0° |
| C11 | N10 | C09 | H37 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 179.9° | 174.5° |
| N10 | C11 | C12 | H2 | 58.9° | 55.0° |
| N10 | C11 | C12 | H3 | 178.0° | 175.0° |
| N10 | C11 | C19 | H19 | 63.7° | 55.0° |
| N10 | C11 | C19 | H20 | 56.5° | 175.0° |
| C24 | C25 | C26 | H24 | 120.5° | 120.0° |
| C24 | C25 | C26 | H25 | 120.5° | 120.0° |
| C25 | C24 | C23 | H22 | 120.7° | 120.0° |
| C25 | C24 | C23 | H23 | 120.7° | 120.0° |
| C24 | C25 | C26 | C27 | 173.0° | 180.0° |
| C24 | C25 | C26 | C29 | 50.8° | 60.0° |
| C25 | C24 | C23 | O22 | 169.7° | 180.0° |
| C25 | C24 | C23 | C30 | 49.3° | 60.0° |
| C25 | C24 | C23 | H21 | 70.3° | 60.0° |
| C25 | C24 | H22 | H23 | 117.8° | 120.0° |
| C24 | C25 | H24 | H25 | 118.3° | 120.0° |
| C24 | C25 | C26 | H26 | 68.2° | 60.0° |
| C26 | C25 | C24 | C23 | 50.9° | 60.0° |
| C25 | C26 | C27 | C29 | 122.9° | 120.0° |
| C25 | C26 | C27 | H26 | 118.7° | 120.0° |
| C25 | C26 | C29 | H26 | 118.8° | 120.0° |
| C25 | C26 | C27 | C28 | 179.3° | 175.0° |
| C25 | C26 | C29 | C30 | 50.9° | 60.0° |
| C26 | C25 | C24 | H22 | 69.8° | 180.0° |
| C26 | C25 | C24 | H23 | 171.6° | 60.1° |
| C26 | C25 | H24 | H25 | 118.3° | 120.0° |
| C25 | C26 | C27 | H27 | 59.9° | 65.0° |
| C25 | C26 | C27 | H28 | 58.5° | 55.0° |
| C25 | C26 | C29 | H32 | 69.7° | 60.0° |
| C25 | C26 | C29 | H33 | 171.4° | 180.0° |
| C24 | C23 | O22 | C30 | 122.6° | 119.9° |
| C24 | C23 | O22 | H21 | 118.9° | 120.1° |
| C24 | C23 | O22 | C02 | 88.2° | 90.0° |
| C24 | C23 | C30 | H21 | 119.7° | 120.0° |
| C24 | C23 | C30 | C29 | 49.2° | 60.0° |
| C23 | C24 | H22 | H23 | 117.8° | 120.0° |
| C23 | C24 | C25 | H24 | 69.6° | 59.9° |
| C23 | C24 | C25 | H25 | 171.4° | 180.0° |
| C24 | C23 | C30 | H34 | 71.4° | 60.0° |
| C24 | C23 | C30 | H35 | 169.9° | 180.0° |
| C12 | C13 | C14 | H4 | 119.3° | 122.5° |
| C12 | C13 | C14 | O18 | 55.5° | 77.6° |
| C13 | C12 | C11 | H1 | 53.3° | 55.0° |
| C13 | C12 | H2 | H3 | 118.7° | 120.0° |
| C12 | C13 | C17 | H17 | 107.2° | 24.3° |
| C12 | C13 | C17 | H18 | 13.2° | 148.0° |
| C14 | C13 | C12 | H2 | 59.1° | 53.5° |
| C14 | C13 | C12 | H3 | 60.0° | 173.6° |
| C14 | C13 | C17 | H17 | 134.6° | 143.0° |
| C14 | C13 | C17 | H18 | 104.9° | 93.3° |
| C13 | C14 | N15 | H38 | 175.4° | 179.6° |
| O18 | C14 | C13 | H4 | 63.8° | 45.0° |
| O18 | C14 | N15 | H38 | 5.4° | 0.5° |
| C27 | C26 | C29 | H26 | 118.3° | 120.0° |
| C26 | C27 | C28 | H27 | 120.8° | 120.1° |
| C26 | C27 | C28 | H28 | 120.8° | 120.0° |
| C27 | C26 | C29 | C30 | 173.8° | 180.0° |
| C27 | C26 | C25 | H24 | 52.5° | 60.0° |
| C27 | C26 | C25 | H25 | 66.5° | 60.0° |
| C26 | C27 | H27 | H28 | 117.5° | 120.0° |
| C26 | C27 | C28 | H29 | 180.0° | 180.0° |
| C26 | C27 | C28 | H30 | 60.0° | 60.0° |
| C26 | C27 | C28 | H31 | 60.0° | 60.0° |
| C27 | C26 | C29 | H32 | 53.2° | 60.0° |
| C27 | C26 | C29 | H33 | 65.7° | 60.0° |
| C29 | C26 | C27 | C28 | 57.8° | 65.0° |
| C26 | C29 | C30 | C23 | 51.2° | 60.0° |
| C26 | C29 | C30 | H32 | 120.5° | 120.0° |
| C26 | C29 | C30 | H33 | 120.5° | 120.0° |
| C29 | C26 | C25 | H24 | 69.7° | 60.0° |
| C29 | C26 | C25 | H25 | 171.3° | 180.0° |
| C29 | C26 | C27 | H27 | 63.0° | 55.1° |
| C29 | C26 | C27 | H28 | 178.6° | 175.0° |
| C26 | C29 | H32 | H33 | 118.4° | 120.0° |
| C26 | C29 | C30 | H34 | 69.5° | 60.0° |
| C26 | C29 | C30 | H35 | 171.8° | 180.0° |
| C28 | C27 | C26 | H26 | 60.6° | 54.9° |
| C28 | C27 | H27 | H28 | 117.5° | 119.9° |
| C27 | C28 | H29 | H30 | 120.0° | 120.0° |
| C27 | C28 | H29 | H31 | 120.0° | 119.9° |
| C27 | C28 | H30 | H31 | 119.9° | 119.9° |
| N10 | C09 | C04 | N03 | 137.7° | 158.1° |
| N10 | C09 | C04 | C05 | 98.6° | 81.9° |
| C09 | N10 | C11 | H1 | 1.0° | 34.9° |
| N10 | C09 | C04 | H5 | 18.9° | 38.1° |
| C09 | C04 | N03 | C02 | 75.6° | 155.0° |
| C09 | C04 | N03 | C05 | 122.4° | 120.0° |
| C09 | C04 | N03 | H5 | 117.3° | 120.0° |
| C09 | C04 | C05 | H5 | 117.5° | 120.0° |
| C09 | C04 | C05 | C06 | 168.1° | 62.2° |
| C09 | C04 | C05 | H6 | 70.9° | 177.7° |
| C09 | C04 | C05 | H7 | 47.2° | 57.7° |
| C09 | C04 | N03 | H36 | 104.4° | 25.1° |
| C04 | C09 | N10 | H37 | 0.1° | 5.4° |
| C02 | N03 | C04 | H36 | 180.0° | 180.0° |
| N03 | C02 | O22 | C23 | 171.8° | 180.0° |
| N03 | C02 | O22 | O01 | 177.1° | 180.0° |
| C02 | N03 | C04 | C05 | 162.1° | 85.0° |
| C02 | N03 | C04 | H5 | 41.7° | 35.0° |
| C04 | N03 | C02 | O22 | 173.6° | 175.6° |
| N03 | C04 | C05 | H5 | 121.6° | 120.0° |
| N03 | C04 | C05 | C06 | 70.9° | 177.8° |
| C04 | N03 | C02 | O01 | 3.5° | 4.4° |
| N03 | C04 | C05 | H6 | 50.1° | 57.8° |
| N03 | C04 | C05 | H7 | 168.1° | 62.2° |
| O22 | C23 | C30 | H21 | 119.7° | 120.0° |
| C23 | O22 | C02 | O01 | 11.1° | 0.0° |
| O22 | C23 | C30 | C29 | 169.8° | 180.0° |
| O22 | C23 | C24 | H22 | 49.0° | 60.0° |
| O22 | C23 | C24 | H23 | 69.6° | 60.0° |
| O22 | C23 | C30 | H34 | 49.1° | 60.0° |
| O22 | C23 | C30 | H35 | 69.6° | 60.0° |
| C02 | O22 | C23 | C30 | 149.2° | 150.0° |
| C02 | O22 | C23 | H21 | 30.7° | 30.0° |
| O22 | C02 | N03 | H36 | 6.3° | 4.5° |
| C23 | C30 | C29 | H34 | 120.6° | 120.1° |
| C23 | C30 | C29 | H35 | 120.7° | 120.0° |
| C30 | C23 | C24 | H22 | 71.4° | 180.0° |
| C30 | C23 | C24 | H23 | 170.0° | 60.0° |
| C23 | C30 | C29 | H32 | 69.4° | 59.9° |
| C23 | C30 | C29 | H33 | 171.7° | 180.0° |
| C23 | C30 | H34 | H35 | 118.0° | 120.0° |
| C04 | C05 | C06 | H6 | 120.9° | 120.0° |
| C04 | C05 | C06 | H7 | 121.0° | 120.0° |
| C04 | C05 | C06 | C08 | 175.4° | 174.0° |
| C04 | C05 | C06 | C07 | 58.9° | 66.0° |
| C04 | C05 | H6 | H7 | 117.1° | 120.0° |
| C04 | C05 | C06 | H8 | 58.4° | 53.9° |
| C05 | C04 | N03 | H36 | 17.9° | 94.9° |
| C05 | C06 | C08 | C07 | 126.3° | 120.0° |
| C05 | C06 | C08 | H8 | 116.2° | 120.0° |
| C05 | C06 | C07 | H8 | 116.6° | 120.0° |
| C06 | C05 | C04 | H5 | 50.7° | 57.8° |
| C06 | C05 | H6 | H7 | 117.1° | 120.0° |
| C05 | C06 | C07 | H9 | 180.0° | 177.4° |
| C05 | C06 | C07 | H10 | 60.0° | 57.4° |
| C05 | C06 | C07 | H11 | 60.0° | 62.7° |
| C05 | C06 | C08 | H12 | 180.0° | 60.0° |
| C05 | C06 | C08 | H13 | 60.0° | 180.0° |
| C05 | C06 | C08 | H14 | 60.0° | 60.0° |
| O01 | C02 | N03 | H36 | 176.6° | 175.5° |
| C29 | C30 | C23 | H21 | 70.5° | 60.0° |
| C30 | C29 | C26 | H26 | 67.9° | 60.0° |
| C30 | C29 | H32 | H33 | 118.4° | 120.1° |
| C29 | C30 | H34 | H35 | 118.0° | 120.0° |
| C08 | C06 | C07 | H8 | 117.6° | 120.0° |
| C08 | C06 | C05 | H6 | 54.4° | 66.1° |
| C08 | C06 | C05 | H7 | 63.7° | 54.0° |
| C08 | C06 | C07 | H9 | 54.2° | 62.7° |
| C08 | C06 | C07 | H10 | 65.9° | 177.3° |
| C08 | C06 | C07 | H11 | 174.1° | 57.3° |
| C06 | C08 | H12 | H13 | 120.0° | 120.0° |
| C06 | C08 | H12 | H14 | 120.0° | 120.0° |
| C06 | C08 | H13 | H14 | 120.0° | 120.0° |
| C07 | C06 | C05 | H6 | 179.8° | 53.9° |
| C07 | C06 | C05 | H7 | 62.1° | 174.0° |
| C06 | C07 | H9 | H10 | 120.0° | 120.0° |
| C06 | C07 | H9 | H11 | 120.0° | 120.0° |
| C06 | C07 | H10 | H11 | 120.0° | 120.0° |
| C07 | C06 | C08 | H12 | 53.7° | 180.0° |
| C07 | C06 | C08 | H13 | 173.7° | 60.0° |
| C07 | C06 | C08 | H14 | 66.3° | 60.0° |
| H1 | C11 | C12 | H2 | 173.8° | 175.0° |
| H1 | C11 | C12 | H3 | 67.1° | 65.0° |
| H1 | C11 | C19 | H19 | 50.7° | 65.0° |
| H1 | C11 | C19 | H20 | 170.9° | 55.0° |
| H1 | C11 | N10 | H37 | 178.9° | 145.0° |
| H2 | C12 | C13 | H4 | 60.1° | 176.1° |
| H3 | C12 | C13 | H4 | 179.3° | 63.9° |
| H4 | C13 | C17 | H17 | 16.2° | 98.3° |
| H4 | C13 | C17 | H18 | 136.7° | 25.4° |
| H5 | C04 | C05 | H6 | 171.6° | 62.2° |
| H5 | C04 | C05 | H7 | 70.3° | 177.8° |
| H5 | C04 | N03 | H36 | 138.2° | 145.1° |
| H6 | C05 | C06 | H8 | 62.6° | 173.9° |
| H7 | C05 | C06 | H8 | 179.3° | 66.0° |
| H8 | C06 | C07 | H9 | 63.4° | 57.4° |
| H8 | C06 | C07 | H10 | 176.6° | 62.6° |
| H8 | C06 | C07 | H11 | 56.6° | 177.3° |
| H8 | C06 | C08 | H12 | 63.8° | 60.0° |
| H8 | C06 | C08 | H13 | 56.2° | 60.0° |
| H8 | C06 | C08 | H14 | 176.2° | 180.0° |
| H9 | C07 | H10 | H11 | 119.9° | 120.0° |
| H12 | C08 | H13 | H14 | 120.0° | 120.0° |
| H15 | C16 | C17 | H17 | 108.9° | 24.6° |
| H15 | C16 | C17 | H18 | 11.7° | 148.3° |
| H15 | C16 | N15 | H38 | 56.1° | 78.0° |
| H16 | C16 | C17 | H17 | 12.5° | 97.4° |
| H16 | C16 | C17 | H18 | 133.0° | 26.3° |
| H16 | C16 | N15 | H38 | 65.2° | 43.9° |
| H19 | C19 | O20 | H39 | 60.1° | 60.0° |
| H20 | C19 | O20 | H39 | 60.2° | 59.9° |
| H21 | C23 | C24 | H22 | 169.0° | 60.0° |
| H21 | C23 | C24 | H23 | 50.4° | 180.0° |
| H21 | C23 | C30 | H34 | 168.9° | 180.0° |
| H21 | C23 | C30 | H35 | 50.2° | 60.0° |
| H22 | C24 | C25 | H24 | 169.7° | 60.0° |
| H22 | C24 | C25 | H25 | 50.7° | 60.0° |
| H23 | C24 | C25 | H24 | 51.1° | 180.0° |
| H23 | C24 | C25 | H25 | 67.9° | 60.0° |
| H24 | C25 | C26 | H26 | 171.2° | 180.0° |
| H25 | C25 | C26 | H26 | 52.3° | 60.1° |
| H26 | C26 | C27 | H27 | 178.6° | 175.0° |
| H26 | C26 | C27 | H28 | 60.2° | 65.1° |
| H26 | C26 | C29 | H32 | 171.5° | 180.0° |
| H26 | C26 | C29 | H33 | 52.6° | 60.0° |
| H27 | C27 | C28 | H29 | 59.2° | 59.9° |
| H27 | C27 | C28 | H30 | 179.2° | 180.0° |
| H27 | C27 | C28 | H31 | 60.8° | 60.0° |
| H28 | C27 | C28 | H29 | 59.2° | 60.0° |
| H28 | C27 | C28 | H30 | 60.8° | 60.1° |
| H28 | C27 | C28 | H31 | 179.2° | 179.9° |
| H29 | C28 | H30 | H31 | 120.0° | 120.0° |
| H32 | C29 | C30 | H34 | 170.0° | 180.0° |
| H32 | C29 | C30 | H35 | 51.3° | 60.0° |
| H33 | C29 | C30 | H34 | 51.1° | 59.9° |
| H33 | C29 | C30 | H35 | 67.6° | 60.0° |
