IUB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C04 | C09 | sing | 1.51Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O22 | C02 | sing | 1.35Å | 1.41Å | |
| O22 | C23 | sing | 1.45Å | 1.42Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C09 | O21 | doub | 1.21Å | 1.20Å | |
| C09 | N10 | sing | 1.35Å | 1.46Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| SG | C19 | sing | 1.81Å | 1.81Å | |
| C19 | C11 | sing | 1.53Å | 1.51Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.62Å | |
| C13 | C17 | sing | 1.55Å | 1.69Å | |
| C13 | C14 | sing | 1.51Å | 1.25Å | |
| C17 | C16 | sing | 1.54Å | 1.26Å | |
| C16 | N15 | sing | 1.47Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.18Å | |
| C14 | N15 | sing | 1.34Å | 1.59Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | 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 | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| N03 | H34 | sing | 0.97Å | 1.00Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| N15 | H36 | sing | 0.97Å | 1.00Å | |
| O20 | H37 | sing | 0.97Å | 0.95Å | |
| SG | O3 | doub | 1.42Å | 34.76Å | |
| SG | O1 | doub | 1.42Å | 1.79Å | |
| SG | O2 | sing | 1.52Å | 34.76Å | |
| O2 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 110.6° | 109.5° |
| C08 | C06 | C05 | 109.4° | 109.5° |
| C08 | C06 | H5 | 108.4° | 109.4° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C06 | C08 | H11 | 109.5° | 109.5° |
| C29 | C28 | C27 | 111.7° | 109.5° |
| C29 | C28 | H29 | 108.9° | 109.5° |
| C29 | C28 | H30 | 108.9° | 109.4° |
| C28 | C29 | H31 | 109.5° | 109.4° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.5° |
| C07 | C06 | C05 | 111.8° | 109.5° |
| C07 | C06 | H5 | 108.3° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| C06 | C05 | C04 | 111.8° | 109.5° |
| C06 | C05 | H3 | 108.9° | 109.4° |
| C06 | C05 | H4 | 108.9° | 109.5° |
| C05 | C06 | H5 | 108.3° | 109.5° |
| C28 | C27 | C26 | 110.2° | 109.5° |
| C28 | C27 | H27 | 109.3° | 109.5° |
| C28 | C27 | H28 | 109.3° | 109.4° |
| C27 | C28 | H29 | 108.9° | 109.5° |
| C27 | C28 | H30 | 108.9° | 109.5° |
| C05 | C04 | N03 | 111.3° | 109.5° |
| C05 | C04 | C09 | 109.0° | 109.5° |
| C05 | C04 | H2 | 109.2° | 109.5° |
| C04 | C05 | H3 | 108.9° | 109.5° |
| C04 | C05 | H4 | 108.9° | 109.5° |
| C27 | C26 | C24 | 117.7° | 117.5° |
| C27 | C26 | C25 | 117.3° | 117.5° |
| C27 | C26 | H26 | 116.5° | 115.6° |
| C26 | C27 | H27 | 109.3° | 109.5° |
| C26 | C27 | H28 | 109.3° | 109.5° |
| C04 | N03 | C02 | 119.2° | 120.0° |
| N03 | C04 | C09 | 107.7° | 109.4° |
| N03 | C04 | H2 | 110.4° | 109.5° |
| C04 | N03 | H34 | 120.4° | 120.0° |
| N03 | C02 | O22 | 116.2° | 120.0° |
| N03 | C02 | O01 | 121.8° | 120.0° |
| C02 | N03 | H34 | 120.4° | 120.1° |
| C04 | C09 | O21 | 123.1° | 120.0° |
| C04 | C09 | N10 | 114.8° | 120.0° |
| C09 | C04 | H2 | 109.3° | 109.5° |
| C24 | C26 | C25 | 60.2° | 60.0° |
| C26 | C24 | C23 | 119.9° | 117.5° |
| C26 | C24 | C25 | 59.7° | 60.0° |
| C26 | C24 | H23 | 117.3° | 117.5° |
| C24 | C26 | H26 | 116.6° | 117.5° |
| C26 | C25 | C24 | 60.1° | 60.0° |
| C26 | C25 | H24 | 120.0° | 117.5° |
| C26 | C25 | H25 | 120.0° | 117.5° |
| C25 | C26 | H26 | 116.7° | 117.5° |
| C02 | O22 | C23 | 112.9° | 117.0° |
| O22 | C02 | O01 | 122.0° | 120.0° |
| O22 | C23 | C24 | 110.6° | 109.5° |
| O22 | C23 | H21 | 109.2° | 109.5° |
| O22 | C23 | H22 | 109.2° | 109.5° |
| C23 | C24 | C25 | 112.7° | 117.5° |
| C24 | C23 | H21 | 109.2° | 109.4° |
| C24 | C23 | H22 | 109.2° | 109.5° |
| C23 | C24 | H23 | 117.0° | 115.5° |
| C25 | C24 | H23 | 117.3° | 117.5° |
| C24 | C25 | H24 | 120.0° | 117.5° |
| C24 | C25 | H25 | 120.0° | 117.5° |
| O21 | C09 | N10 | 122.1° | 120.0° |
| C09 | N10 | C11 | 120.8° | 120.0° |
| C09 | N10 | H35 | 119.6° | 120.0° |
| N10 | C11 | C19 | 106.2° | 109.4° |
| N10 | C11 | C12 | 110.9° | 109.5° |
| N10 | C11 | H12 | 110.4° | 109.4° |
| C11 | N10 | H35 | 119.6° | 120.0° |
| SG | C19 | C11 | 108.7° | 109.4° |
| SG | C19 | O20 | 111.0° | 109.5° |
| SG | C19 | H20 | 107.4° | 109.4° |
| C19 | SG | O3 | 120.0° | 110.5° |
| C19 | SG | O1 | 103.2° | 110.6° |
| C19 | SG | O2 | 120.0° | 104.5° |
| C11 | C19 | O20 | 106.1° | 109.5° |
| C19 | C11 | C12 | 110.7° | 109.5° |
| C19 | C11 | H12 | 109.5° | 109.5° |
| C11 | C19 | H20 | 110.9° | 109.5° |
| O20 | C19 | H20 | 112.6° | 109.5° |
| C19 | O20 | H37 | 109.5° | 114.0° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H12 | 109.1° | 109.5° |
| C11 | C12 | H13 | 108.8° | 109.5° |
| C11 | C12 | H14 | 108.8° | 109.5° |
| C12 | C13 | C17 | 109.7° | 110.4° |
| C12 | C13 | C14 | 113.0° | 110.5° |
| C13 | C12 | H13 | 108.8° | 109.5° |
| C13 | C12 | H14 | 108.8° | 109.4° |
| C12 | C13 | H15 | 107.5° | 110.4° |
| C17 | C13 | C14 | 106.8° | 104.2° |
| C13 | C17 | C16 | 106.2° | 101.7° |
| C17 | C13 | H15 | 106.7° | 110.5° |
| C13 | C17 | H18 | 110.3° | 111.0° |
| C13 | C17 | H19 | 110.3° | 111.0° |
| C13 | C14 | O18 | 130.0° | 125.0° |
| C13 | C14 | N15 | 106.3° | 110.1° |
| C14 | C13 | H15 | 112.8° | 110.7° |
| C17 | C16 | N15 | 105.9° | 105.5° |
| C17 | C16 | H16 | 110.3° | 110.3° |
| C17 | C16 | H17 | 110.3° | 110.3° |
| C16 | C17 | H18 | 110.3° | 111.0° |
| C16 | C17 | H19 | 110.3° | 111.0° |
| C16 | N15 | C14 | 105.7° | 111.3° |
| N15 | C16 | H16 | 110.4° | 110.3° |
| N15 | C16 | H17 | 110.3° | 110.2° |
| C16 | N15 | H36 | 127.1° | 124.3° |
| O18 | C14 | N15 | 123.6° | 125.0° |
| C14 | N15 | H36 | 127.2° | 124.3° |
| H3 | C05 | H4 | 109.4° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H9 | C08 | H11 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 110.2° |
| H18 | C17 | H19 | 109.5° | 110.9° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 115.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.4° | 109.4° |
| H31 | C29 | H32 | 109.4° | 109.5° |
| H31 | C29 | H33 | 109.4° | 109.4° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| O3 | SG | O1 | 136.4° | 121.0° |
| O3 | SG | O2 | NaN° | 104.3° |
| O1 | SG | O2 | 136.4° | 104.2° |
| SG | O2 | H1 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 122.2° | 120.0° |
| C08 | C06 | C07 | H5 | 118.6° | 120.0° |
| C08 | C06 | C05 | H5 | 117.9° | 120.0° |
| C08 | C06 | C05 | C04 | 167.8° | 65.0° |
| C08 | C06 | C05 | H3 | 71.9° | 175.0° |
| C08 | C06 | C05 | H4 | 47.4° | 55.0° |
| C08 | C06 | C07 | H6 | 180.0° | 60.0° |
| C08 | C06 | C07 | H7 | 60.0° | 60.0° |
| C08 | C06 | C07 | H8 | 60.0° | 180.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H11 | 120.0° | 120.0° |
| C06 | C08 | H10 | H11 | 120.0° | 120.0° |
| C29 | C28 | C27 | H29 | 120.3° | 120.1° |
| C29 | C28 | C27 | H30 | 120.4° | 120.0° |
| C29 | C28 | C27 | C26 | 63.1° | 180.0° |
| C29 | C28 | C27 | H27 | 57.0° | 60.0° |
| C29 | C28 | C27 | H28 | 176.8° | 60.1° |
| C29 | C28 | H29 | H30 | 119.0° | 119.9° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H32 | H33 | 120.0° | 120.1° |
| C07 | C06 | C05 | H5 | 119.2° | 120.0° |
| C07 | C06 | C05 | C04 | 69.4° | 175.0° |
| C07 | C06 | C05 | H3 | 51.0° | 55.0° |
| C07 | C06 | C05 | H4 | 170.3° | 65.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.1° |
| C07 | C06 | C08 | H9 | 180.0° | 180.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C07 | C06 | C08 | H11 | 60.0° | 60.0° |
| C06 | C05 | C04 | H3 | 120.4° | 120.0° |
| C06 | C05 | C04 | H4 | 120.4° | 120.0° |
| C06 | C05 | C04 | N03 | 66.6° | 65.0° |
| C06 | C05 | C04 | C09 | 174.8° | 175.0° |
| C06 | C05 | C04 | H2 | 55.5° | 55.0° |
| C06 | C05 | H3 | H4 | 118.9° | 120.0° |
| C05 | C06 | C07 | H6 | 57.8° | 60.0° |
| C05 | C06 | C07 | H7 | 177.8° | 180.0° |
| C05 | C06 | C07 | H8 | 62.2° | 59.9° |
| C05 | C06 | C08 | H9 | 56.5° | 60.0° |
| C05 | C06 | C08 | H10 | 63.5° | 180.0° |
| C05 | C06 | C08 | H11 | 176.5° | 60.0° |
| C28 | C27 | C26 | H27 | 120.1° | 120.0° |
| C28 | C27 | C26 | H28 | 120.1° | 119.9° |
| C28 | C27 | C26 | C24 | 92.8° | 175.0° |
| C28 | C27 | C26 | C25 | 161.6° | 116.4° |
| C28 | C27 | C26 | H26 | 53.1° | 29.3° |
| C28 | C27 | H27 | H28 | 119.7° | 120.0° |
| C27 | C28 | H29 | H30 | 119.0° | 120.0° |
| C27 | C28 | C29 | H31 | 180.0° | 60.0° |
| C27 | C28 | C29 | H32 | 60.0° | 180.0° |
| C27 | C28 | C29 | H33 | 60.0° | 59.9° |
| C05 | C04 | N03 | C09 | 119.4° | 120.0° |
| C05 | C04 | N03 | H2 | 121.4° | 120.0° |
| C05 | C04 | N03 | C02 | 176.6° | 85.0° |
| C05 | C04 | C09 | H2 | 119.2° | 120.0° |
| C05 | C04 | C09 | O21 | 85.5° | 120.0° |
| C05 | C04 | C09 | N10 | 95.8° | 60.0° |
| C04 | C05 | H3 | H4 | 118.9° | 120.0° |
| C04 | C05 | C06 | H5 | 49.8° | 55.0° |
| C05 | C04 | N03 | H34 | 3.4° | 95.0° |
| C27 | C26 | C24 | C25 | 107.2° | 107.5° |
| C27 | C26 | C24 | H26 | 145.8° | 145.0° |
| C27 | C26 | C25 | H26 | 145.3° | 145.1° |
| C27 | C26 | C24 | C23 | 6.9° | 0.1° |
| C27 | C26 | C24 | H23 | 145.6° | 145.0° |
| C27 | C26 | C25 | H24 | 142.6° | 0.0° |
| C27 | C26 | C25 | H25 | 1.6° | 145.1° |
| C26 | C27 | H27 | H28 | 119.7° | 120.0° |
| C26 | C27 | C28 | H29 | 176.6° | 60.0° |
| C26 | C27 | C28 | H30 | 57.3° | 60.0° |
| C04 | N03 | C02 | H34 | 180.0° | 180.0° |
| N03 | C04 | C09 | H2 | 119.9° | 120.0° |
| C04 | N03 | C02 | O22 | 170.8° | 180.0° |
| C04 | N03 | C02 | O01 | 8.0° | 0.0° |
| N03 | C04 | C09 | O21 | 35.4° | 0.0° |
| N03 | C04 | C09 | N10 | 143.3° | 180.0° |
| N03 | C04 | C05 | H3 | 173.1° | 55.0° |
| N03 | C04 | C05 | H4 | 53.8° | 175.0° |
| C02 | N03 | C04 | C09 | 64.0° | 155.0° |
| N03 | C02 | O22 | O01 | 178.8° | 179.9° |
| N03 | C02 | O22 | C23 | 169.4° | 180.0° |
| C02 | N03 | C04 | H2 | 55.2° | 35.0° |
| C04 | C09 | O21 | N10 | 178.7° | 180.0° |
| C04 | C09 | N10 | C11 | 179.2° | 180.0° |
| C09 | C04 | C05 | H3 | 54.5° | 65.0° |
| C09 | C04 | C05 | H4 | 64.8° | 55.0° |
| C09 | C04 | N03 | H34 | 116.0° | 25.0° |
| C04 | C09 | N10 | H35 | 0.8° | 0.0° |
| C24 | C26 | C25 | H26 | 106.8° | 107.5° |
| C26 | C24 | C23 | O22 | 76.3° | 175.0° |
| C26 | C24 | C23 | C25 | 67.1° | 68.6° |
| C26 | C24 | C23 | H23 | 152.5° | 145.7° |
| C26 | C24 | C25 | H23 | 107.2° | 107.5° |
| C26 | C24 | C23 | H21 | 43.8° | 65.0° |
| C26 | C24 | C23 | H22 | 163.5° | 55.0° |
| C24 | C26 | C25 | H24 | 109.5° | 107.5° |
| C24 | C26 | C25 | H25 | 109.5° | 107.5° |
| C24 | C26 | C27 | H27 | 147.2° | 55.0° |
| C24 | C26 | C27 | H28 | 27.4° | 65.0° |
| C26 | C25 | H24 | H25 | 144.7° | 145.7° |
| C25 | C26 | C27 | H27 | 78.3° | 123.6° |
| C25 | C26 | C27 | H28 | 41.5° | 3.5° |
| C02 | O22 | C23 | C24 | 174.5° | 180.0° |
| C02 | O22 | C23 | H21 | 65.3° | 60.0° |
| C02 | O22 | C23 | H22 | 54.3° | 60.0° |
| O22 | C02 | N03 | H34 | 9.2° | 0.0° |
| C23 | O22 | C02 | O01 | 9.4° | 0.1° |
| O22 | C23 | C24 | H21 | 120.2° | 120.0° |
| O22 | C23 | C24 | H22 | 120.1° | 120.0° |
| O22 | C23 | C24 | C25 | 143.4° | 116.4° |
| O22 | C23 | H21 | H22 | 119.4° | 120.0° |
| O22 | C23 | C24 | H23 | 76.2° | 29.3° |
| O01 | C02 | N03 | H34 | 172.0° | 179.9° |
| C23 | C24 | C25 | H23 | 140.3° | 145.0° |
| C24 | C23 | H21 | H22 | 119.5° | 120.0° |
| C23 | C24 | C25 | H24 | 138.0° | 0.1° |
| C23 | C24 | C25 | H25 | 3.0° | 145.0° |
| C23 | C24 | C26 | H26 | 152.6° | 145.0° |
| C25 | C24 | C23 | H21 | 23.3° | 3.6° |
| C25 | C24 | C23 | H22 | 96.4° | 123.6° |
| C24 | C25 | H24 | H25 | 144.7° | 145.6° |
| O21 | C09 | N10 | C11 | 0.5° | 0.0° |
| O21 | C09 | C04 | H2 | 155.3° | 120.0° |
| O21 | C09 | N10 | H35 | 179.5° | 180.0° |
| C09 | N10 | C11 | H35 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 124.7° | 91.8° |
| C09 | N10 | C11 | C12 | 115.0° | 148.2° |
| N10 | C09 | C04 | H2 | 23.4° | 60.0° |
| C09 | N10 | C11 | H12 | 6.1° | 28.2° |
| N10 | C11 | C19 | SG | 61.6° | 174.3° |
| N10 | C11 | C19 | C12 | 120.5° | 120.0° |
| N10 | C11 | C19 | H12 | 119.2° | 119.9° |
| N10 | C11 | C19 | O20 | 178.9° | 54.3° |
| N10 | C11 | C12 | H12 | 121.9° | 120.0° |
| N10 | C11 | C12 | C13 | 63.8° | 61.7° |
| N10 | C11 | C12 | H13 | 56.6° | 58.4° |
| N10 | C11 | C12 | H14 | 175.8° | 178.3° |
| N10 | C11 | C19 | H20 | 56.3° | 65.7° |
| SG | C19 | C11 | O20 | 119.4° | 120.0° |
| SG | C19 | C11 | H20 | 117.9° | 119.9° |
| SG | C19 | O20 | H20 | 120.5° | 120.0° |
| SG | C19 | C11 | C12 | 58.9° | 65.7° |
| SG | C19 | C11 | H12 | 179.2° | 54.4° |
| SG | C19 | O20 | H37 | 180.0° | 180.0° |
| C19 | SG | O3 | O1 | 171.8° | 131.5° |
| C19 | SG | O3 | O2 | 90.0° | 111.8° |
| C19 | SG | O1 | O2 | 172.7° | 111.8° |
| C19 | SG | O2 | H1 | 90.0° | 180.0° |
| C11 | C19 | O20 | H20 | 121.6° | 120.0° |
| C19 | C11 | C12 | H12 | 120.5° | 120.1° |
| C19 | C11 | C12 | C13 | 178.5° | 178.4° |
| C19 | C11 | C12 | H13 | 61.0° | 61.6° |
| C19 | C11 | C12 | H14 | 58.1° | 58.4° |
| C19 | C11 | N10 | H35 | 55.3° | 88.2° |
| C11 | C19 | O20 | H37 | 62.1° | 60.0° |
| C11 | C19 | SG | O3 | 5.7° | 179.0° |
| C11 | C19 | SG | O1 | 168.5° | 44.3° |
| C11 | C19 | SG | O2 | 5.7° | 67.4° |
| O20 | C19 | C11 | C12 | 60.6° | 174.3° |
| O20 | C19 | C11 | H12 | 59.7° | 65.6° |
| O20 | C19 | SG | O3 | 122.0° | 61.0° |
| O20 | C19 | SG | O1 | 52.1° | 75.8° |
| O20 | C19 | SG | O2 | 122.0° | 172.6° |
| C11 | C12 | C13 | H13 | 120.4° | 120.1° |
| C11 | C12 | C13 | H14 | 120.4° | 120.0° |
| C11 | C12 | C13 | C17 | 61.6° | 66.1° |
| C11 | C12 | C13 | C14 | 179.3° | 179.1° |
| C11 | C12 | H13 | H14 | 118.8° | 120.0° |
| C11 | C12 | C13 | H15 | 54.2° | 56.4° |
| C12 | C11 | C19 | H20 | 176.8° | 54.3° |
| C12 | C11 | N10 | H35 | 65.0° | 31.8° |
| C12 | C13 | C17 | C14 | 122.8° | 118.7° |
| C12 | C13 | C17 | H15 | 116.2° | 122.4° |
| C12 | C13 | C14 | H15 | 122.3° | 122.6° |
| C12 | C13 | C17 | C16 | 154.3° | 143.5° |
| C12 | C13 | C14 | O18 | 46.1° | 45.1° |
| C12 | C13 | C14 | N15 | 137.6° | 134.9° |
| C13 | C12 | C11 | H12 | 58.0° | 58.3° |
| C13 | C12 | H13 | H14 | 118.8° | 119.9° |
| C12 | C13 | C17 | H18 | 34.8° | 25.4° |
| C12 | C13 | C17 | H19 | 86.3° | 98.4° |
| C17 | C13 | C14 | H15 | 117.0° | 118.8° |
| C13 | C17 | C16 | H18 | 119.5° | 118.2° |
| C13 | C17 | C16 | H19 | 119.5° | 118.1° |
| C13 | C17 | C16 | N15 | 28.0° | 25.4° |
| C17 | C13 | C14 | O18 | 166.8° | 163.7° |
| C17 | C13 | C14 | N15 | 16.8° | 16.3° |
| C17 | C13 | C12 | H13 | 178.0° | 173.8° |
| C17 | C13 | C12 | H14 | 58.8° | 53.9° |
| C13 | C17 | C16 | H16 | 147.4° | 144.4° |
| C13 | C17 | C16 | H17 | 91.4° | 93.6° |
| C13 | C17 | H18 | H19 | 121.5° | 123.8° |
| C14 | C13 | C17 | C16 | 31.4° | 24.8° |
| C13 | C14 | N15 | C16 | 1.8° | 0.4° |
| C13 | C14 | O18 | N15 | 175.8° | 180.0° |
| C14 | C13 | C12 | H13 | 58.9° | 59.1° |
| C14 | C13 | C12 | H14 | 60.3° | 60.8° |
| C14 | C13 | C17 | H18 | 88.1° | 93.3° |
| C14 | C13 | C17 | H19 | 150.9° | 142.9° |
| C13 | C14 | N15 | H36 | 178.2° | 179.6° |
| C17 | C16 | N15 | H16 | 119.4° | 119.0° |
| C17 | C16 | N15 | H17 | 119.4° | 119.1° |
| C17 | C16 | N15 | C14 | 19.3° | 17.0° |
| C16 | C17 | C13 | H15 | 89.5° | 94.1° |
| C17 | C16 | H16 | H17 | 121.6° | 122.0° |
| C16 | C17 | H18 | H19 | 121.5° | 123.8° |
| C17 | C16 | N15 | H36 | 160.7° | 162.9° |
| C16 | N15 | C14 | O18 | 178.4° | 179.6° |
| C16 | N15 | C14 | H36 | 180.0° | 180.0° |
| N15 | C16 | H16 | H17 | 121.7° | 121.9° |
| N15 | C16 | C17 | H18 | 91.5° | 92.7° |
| N15 | C16 | C17 | H19 | 147.5° | 143.5° |
| O18 | C14 | C13 | H15 | 76.2° | 77.5° |
| O18 | C14 | N15 | H36 | 1.5° | 0.4° |
| N15 | C14 | C13 | H15 | 100.1° | 102.5° |
| C14 | N15 | C16 | H16 | 138.7° | 136.0° |
| C14 | N15 | C16 | H17 | 100.1° | 102.0° |
| H2 | C04 | C05 | H3 | 64.8° | 175.0° |
| H2 | C04 | C05 | H4 | 175.9° | 65.0° |
| H2 | C04 | N03 | H34 | 124.8° | 145.0° |
| H3 | C05 | C06 | H5 | 170.2° | 65.0° |
| H4 | C05 | C06 | H5 | 70.6° | 175.0° |
| H5 | C06 | C07 | H6 | 61.4° | 180.0° |
| H5 | C06 | C07 | H7 | 58.7° | 60.0° |
| H5 | C06 | C07 | H8 | 178.6° | 60.1° |
| H5 | C06 | C08 | H9 | 61.4° | 60.0° |
| H5 | C06 | C08 | H10 | 178.6° | 60.0° |
| H5 | C06 | C08 | H11 | 58.6° | 180.0° |
| H6 | C07 | H7 | H8 | 120.0° | 119.9° |
| H9 | C08 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 178.4° | 178.3° |
| H12 | C11 | C12 | H14 | 62.4° | 61.7° |
| H12 | C11 | C19 | H20 | 62.9° | 174.4° |
| H12 | C11 | N10 | H35 | 173.9° | 151.8° |
| H13 | C12 | C13 | H15 | 66.3° | 63.7° |
| H14 | C12 | C13 | H15 | 174.6° | 176.4° |
| H15 | C13 | C17 | H18 | 151.0° | 147.8° |
| H15 | C13 | C17 | H19 | 30.0° | 24.0° |
| H16 | C16 | C17 | H18 | 27.9° | 26.3° |
| H16 | C16 | C17 | H19 | 93.1° | 97.5° |
| H16 | C16 | N15 | H36 | 41.3° | 43.9° |
| H17 | C16 | C17 | H18 | 149.0° | 148.2° |
| H17 | C16 | C17 | H19 | 28.0° | 24.5° |
| H17 | C16 | N15 | H36 | 79.8° | 78.0° |
| H20 | C19 | O20 | H37 | 59.5° | 60.0° |
| H20 | C19 | SG | O3 | 114.4° | 59.0° |
| H20 | C19 | SG | O1 | 71.4° | 164.2° |
| H20 | C19 | SG | O2 | 114.4° | 52.6° |
| H21 | C23 | C24 | H23 | 163.7° | 149.3° |
| H22 | C23 | C24 | H23 | 44.0° | 90.7° |
| H23 | C24 | C25 | H24 | 2.3° | 145.0° |
| H23 | C24 | C25 | H25 | 143.3° | 0.0° |
| H23 | C24 | C26 | H26 | 0.2° | 0.0° |
| H24 | C25 | C26 | H26 | 2.7° | 145.0° |
| H25 | C25 | C26 | H26 | 143.7° | 0.0° |
| H26 | C26 | C27 | H27 | 67.0° | 90.7° |
| H26 | C26 | C27 | H28 | 173.2° | 149.3° |
| H27 | C27 | C28 | H29 | 63.3° | 179.9° |
| H27 | C27 | C28 | H30 | 177.4° | 60.0° |
| H28 | C27 | C28 | H29 | 56.4° | 60.0° |
| H28 | C27 | C28 | H30 | 62.8° | 180.0° |
| H29 | C28 | C29 | H31 | 59.7° | 60.0° |
| H29 | C28 | C29 | H32 | 60.3° | 60.0° |
| H29 | C28 | C29 | H33 | 179.6° | NaN° |
| H30 | C28 | C29 | H31 | 59.6° | 180.0° |
| H30 | C28 | C29 | H32 | 179.6° | 60.0° |
| H30 | C28 | C29 | H33 | 60.4° | 60.0° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
| O3 | SG | O1 | O2 | 0.0° | 116.7° |
| O3 | SG | O2 | H1 | 90.0° | 63.9° |
| O1 | SG | O2 | H1 | 90.0° | 63.9° |
