Y4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.56Å | 1.53Å | |
| C27 | C26 | sing | 1.55Å | 1.47Å | |
| C28 | C30 | sing | 1.56Å | 1.53Å | |
| C28 | C29 | sing | 1.59Å | 1.54Å | |
| O18 | C14 | doub | 1.21Å | 1.22Å | |
| C26 | C25 | sing | 1.56Å | 1.53Å | |
| C30 | C24 | sing | 1.55Å | 1.53Å | |
| C14 | N15 | sing | 1.34Å | 1.38Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C29 | C25 | sing | 1.57Å | 1.54Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C23 | O22 | sing | 1.45Å | 1.33Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.56Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| O22 | C02 | sing | 1.35Å | 1.36Å | |
| C02 | N03 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N10 | C09 | sing | 1.35Å | 1.40Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| C09 | O21 | doub | 1.21Å | 1.23Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| 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 | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | 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 | |
| S1 | O1 | doub | 1.42Å | 34.18Å | |
| S1 | O2 | doub | 1.42Å | 34.18Å | |
| S1 | O3 | sing | 1.52Å | 34.18Å | |
| O3 | H9 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 104.9° | 104.6° |
| C27 | C28 | C30 | 107.2° | 105.3° |
| C27 | C28 | C29 | 103.8° | 101.1° |
| C28 | C27 | H27 | 110.6° | 110.4° |
| C28 | C27 | H28 | 110.6° | 110.4° |
| C27 | C28 | H29 | 115.2° | 116.0° |
| C27 | C26 | C25 | 103.7° | 104.7° |
| C27 | C26 | H25 | 110.9° | 110.4° |
| C27 | C26 | H26 | 110.9° | 110.5° |
| C26 | C27 | H27 | 110.6° | 110.2° |
| C26 | C27 | H28 | 110.6° | 110.6° |
| C30 | C28 | C29 | 98.7° | 99.9° |
| C28 | C30 | C24 | 101.3° | 104.5° |
| C30 | C28 | H29 | 115.1° | 115.6° |
| C28 | C30 | H32 | 111.5° | 110.4° |
| C28 | C30 | H33 | 111.4° | 110.4° |
| C28 | C29 | C25 | 93.6° | 95.4° |
| C29 | C28 | H29 | 115.0° | 116.8° |
| C28 | C29 | H30 | 113.3° | 112.1° |
| C28 | C29 | H31 | 113.3° | 112.1° |
| O18 | C14 | N15 | 127.0° | 125.0° |
| O18 | C14 | C13 | 122.9° | 124.9° |
| C26 | C25 | C29 | 100.2° | 101.4° |
| C26 | C25 | C24 | 109.1° | 104.6° |
| C26 | C25 | H24 | 115.4° | 116.0° |
| C25 | C26 | H25 | 110.9° | 110.4° |
| C25 | C26 | H26 | 110.9° | 110.4° |
| C30 | C24 | C23 | 108.2° | 110.4° |
| C30 | C24 | C25 | 105.8° | 104.8° |
| C30 | C24 | H23 | 108.9° | 110.4° |
| C24 | C30 | H32 | 111.4° | 111.4° |
| C24 | C30 | H33 | 111.5° | 109.5° |
| N15 | C14 | C13 | 110.1° | 110.1° |
| C14 | N15 | C16 | 112.3° | 111.3° |
| C14 | N15 | H36 | 123.9° | 124.3° |
| C14 | C13 | C12 | 114.6° | 110.5° |
| C14 | C13 | C17 | 102.6° | 104.2° |
| C14 | C13 | H4 | 108.5° | 110.6° |
| C29 | C25 | C24 | 99.3° | 100.6° |
| C29 | C25 | H24 | 115.1° | 116.1° |
| C25 | C29 | H30 | 113.3° | 111.9° |
| C25 | C29 | H31 | 113.3° | 112.8° |
| N15 | C16 | C17 | 104.5° | 105.5° |
| N15 | C16 | H5 | 110.7° | 110.3° |
| N15 | C16 | H6 | 110.7° | 110.3° |
| C16 | N15 | H36 | 123.8° | 124.3° |
| C24 | C23 | O22 | 97.5° | 109.5° |
| C23 | C24 | C25 | 116.3° | 110.4° |
| C24 | C23 | H11 | 112.4° | 109.5° |
| C24 | C23 | H12 | 112.3° | 109.5° |
| C23 | C24 | H23 | 108.4° | 110.3° |
| C23 | O22 | C02 | 118.0° | 117.1° |
| O22 | C23 | H11 | 112.4° | 109.4° |
| O22 | C23 | H12 | 112.4° | 109.5° |
| O01 | C02 | O22 | 116.7° | 119.9° |
| O01 | C02 | N03 | 127.8° | 120.0° |
| C25 | C24 | H23 | 109.1° | 110.5° |
| C24 | C25 | H24 | 115.6° | 115.9° |
| C12 | C13 | C17 | 113.9° | 110.4° |
| C13 | C12 | C11 | 113.5° | 109.4° |
| C13 | C12 | H2 | 108.5° | 109.5° |
| C13 | C12 | H3 | 108.5° | 109.5° |
| C12 | C13 | H4 | 108.5° | 110.4° |
| C13 | C17 | C16 | 108.0° | 101.7° |
| C17 | C13 | H4 | 108.4° | 110.5° |
| C13 | C17 | H7 | 109.8° | 111.0° |
| C13 | C17 | H8 | 109.9° | 111.0° |
| O22 | C02 | N03 | 115.5° | 120.0° |
| C02 | N03 | C04 | 120.1° | 120.0° |
| C02 | N03 | H34 | 119.9° | 120.0° |
| C17 | C16 | H5 | 110.7° | 110.2° |
| C17 | C16 | H6 | 110.7° | 110.2° |
| C16 | C17 | H7 | 109.8° | 110.9° |
| C16 | C17 | H8 | 109.8° | 110.9° |
| C12 | C11 | N10 | 111.3° | 109.5° |
| C12 | C11 | C19 | 109.7° | 109.4° |
| C12 | C11 | H1 | 108.1° | 109.5° |
| C11 | C12 | H2 | 108.5° | 109.5° |
| C11 | C12 | H3 | 108.5° | 109.5° |
| C07 | C06 | C05 | 111.2° | 109.4° |
| C07 | C06 | C08 | 111.0° | 109.5° |
| C07 | C06 | H16 | 108.0° | 109.5° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| C06 | C07 | H18 | 109.4° | 109.4° |
| C06 | C07 | H19 | 109.4° | 109.5° |
| N03 | C04 | C09 | 109.2° | 109.4° |
| N03 | C04 | C05 | 110.8° | 109.5° |
| N03 | C04 | H13 | 108.5° | 109.5° |
| C04 | N03 | H34 | 120.0° | 120.0° |
| C09 | C04 | C05 | 112.9° | 109.5° |
| C04 | C09 | N10 | 122.6° | 120.0° |
| C04 | C09 | O21 | 118.3° | 120.1° |
| C09 | C04 | H13 | 107.6° | 109.5° |
| C04 | C05 | C06 | 114.3° | 109.5° |
| C05 | C04 | H13 | 107.6° | 109.5° |
| C04 | C05 | H14 | 108.2° | 109.5° |
| C04 | C05 | H15 | 108.2° | 109.5° |
| C09 | N10 | C11 | 124.5° | 120.0° |
| N10 | C09 | O21 | 119.0° | 120.0° |
| C09 | N10 | H35 | 117.8° | 120.0° |
| N10 | C11 | C19 | 109.6° | 109.5° |
| N10 | C11 | H1 | 109.5° | 109.5° |
| C11 | N10 | H35 | 117.8° | 120.0° |
| C11 | C19 | O20 | 106.1° | 109.4° |
| C19 | C11 | H1 | 108.7° | 109.4° |
| C11 | C19 | S1 | 110.8° | 109.5° |
| C11 | C19 | H10 | 106.6° | 109.5° |
| C05 | C06 | C08 | 111.0° | 109.5° |
| C06 | C05 | H14 | 108.2° | 109.5° |
| C06 | C05 | H15 | 108.2° | 109.5° |
| C05 | C06 | H16 | 107.9° | 109.4° |
| C08 | C06 | H16 | 107.6° | 109.5° |
| C06 | C08 | H20 | 109.5° | 109.5° |
| C06 | C08 | H21 | 109.4° | 109.5° |
| C06 | C08 | H22 | 109.4° | 109.5° |
| O20 | C19 | S1 | 110.9° | 109.5° |
| O20 | C19 | H10 | 107.8° | 109.5° |
| C19 | O20 | H37 | 109.5° | 114.0° |
| H2 | C12 | H3 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.4° | 110.3° |
| H7 | C17 | H8 | 109.5° | 111.0° |
| S1 | C19 | H10 | 114.3° | 109.5° |
| C19 | S1 | O1 | 137.6° | 110.5° |
| C19 | S1 | O2 | 137.6° | 110.5° |
| C19 | S1 | O3 | 137.6° | 104.5° |
| H11 | C23 | H12 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H17 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.4° |
| H20 | C08 | H21 | 109.5° | 109.4° |
| H20 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 110.3° |
| H27 | C27 | H28 | 109.5° | 110.4° |
| H30 | C29 | H31 | 109.4° | 111.8° |
| H32 | C30 | H33 | 109.5° | 110.5° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H9 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H27 | 119.3° | 118.7° |
| C28 | C27 | C26 | H28 | 119.3° | 118.9° |
| C27 | C28 | C30 | C29 | 107.5° | 104.4° |
| C27 | C28 | C30 | H29 | 129.6° | 129.4° |
| C27 | C28 | C29 | H29 | 126.7° | 126.8° |
| C28 | C27 | C26 | C25 | 11.0° | 0.0° |
| C27 | C28 | C30 | C24 | 65.2° | 69.1° |
| C27 | C28 | C29 | C25 | 49.2° | 53.0° |
| C28 | C27 | C26 | H25 | 108.1° | 118.8° |
| C28 | C27 | C26 | H26 | 130.1° | 118.8° |
| C28 | C27 | H27 | H28 | 122.1° | 122.4° |
| C27 | C28 | C29 | H30 | 166.5° | 63.2° |
| C27 | C28 | C29 | H31 | 68.1° | 170.2° |
| C27 | C28 | C30 | H32 | 53.4° | 171.0° |
| C27 | C28 | C30 | H33 | 176.1° | 48.5° |
| C26 | C27 | C28 | C30 | 78.9° | 70.0° |
| C26 | C27 | C28 | C29 | 25.0° | 33.5° |
| C27 | C26 | C25 | H25 | 119.1° | 118.8° |
| C27 | C26 | C25 | H26 | 119.1° | 118.9° |
| C27 | C26 | C25 | C29 | 43.0° | 34.0° |
| C27 | C26 | C25 | C24 | 60.7° | 70.3° |
| C27 | C26 | C25 | H24 | 167.2° | 160.8° |
| C27 | C26 | H25 | H26 | 122.7° | 122.4° |
| C26 | C27 | H27 | H28 | 122.1° | 122.5° |
| C26 | C27 | C28 | H29 | 151.6° | 160.8° |
| C30 | C28 | C29 | H29 | 123.0° | 125.4° |
| C28 | C30 | C24 | H32 | 118.7° | 119.2° |
| C28 | C30 | C24 | H33 | 118.7° | 118.3° |
| C30 | C28 | C29 | C25 | 61.0° | 54.8° |
| C28 | C30 | C24 | C23 | 118.8° | 117.6° |
| C28 | C30 | C24 | C25 | 6.4° | 1.2° |
| C28 | C30 | C24 | H23 | 123.6° | 120.2° |
| C30 | C28 | C27 | H27 | 161.9° | 48.5° |
| C30 | C28 | C27 | H28 | 40.4° | 170.9° |
| C30 | C28 | C29 | H30 | 56.3° | 171.0° |
| C30 | C28 | C29 | H31 | 178.3° | 62.4° |
| C28 | C30 | H32 | H33 | 123.8° | 122.4° |
| C28 | C29 | C25 | C26 | 55.4° | 53.1° |
| C29 | C28 | C30 | C24 | 42.2° | 35.3° |
| C28 | C29 | C25 | H30 | 117.3° | 116.4° |
| C28 | C29 | C25 | H31 | 117.3° | 116.7° |
| C28 | C29 | C25 | C24 | 56.2° | 54.3° |
| C28 | C29 | C25 | H24 | 179.8° | 179.7° |
| C29 | C28 | C27 | H27 | 94.2° | 152.1° |
| C29 | C28 | C27 | H28 | 144.3° | 85.5° |
| C28 | C29 | H30 | H31 | 127.5° | 126.7° |
| C29 | C28 | C30 | H32 | 160.9° | 84.6° |
| C29 | C28 | C30 | H33 | 76.4° | 153.0° |
| O18 | C14 | N15 | C13 | 179.7° | 180.0° |
| O18 | C14 | N15 | C16 | 179.6° | 179.6° |
| O18 | C14 | C13 | C12 | 47.0° | 45.1° |
| O18 | C14 | C13 | C17 | 171.0° | 163.8° |
| O18 | C14 | C13 | H4 | 74.5° | 77.5° |
| O18 | C14 | N15 | H36 | 0.4° | 0.4° |
| C26 | C25 | C24 | C30 | 72.8° | 71.1° |
| C26 | C25 | C29 | C24 | 111.5° | 107.4° |
| C26 | C25 | C29 | H24 | 124.4° | 126.6° |
| C26 | C25 | C24 | C23 | 47.3° | 47.7° |
| C26 | C25 | C24 | H24 | 132.0° | 129.0° |
| C26 | C25 | C24 | H23 | 170.2° | 170.0° |
| C25 | C26 | H25 | H26 | 122.6° | 122.3° |
| C25 | C26 | C27 | H27 | 130.3° | 118.6° |
| C25 | C26 | C27 | H28 | 108.3° | 119.0° |
| C26 | C25 | C29 | H30 | 172.7° | 63.2° |
| C26 | C25 | C29 | H31 | 61.9° | 169.8° |
| C30 | C24 | C25 | C29 | 31.5° | 33.8° |
| C30 | C24 | C23 | C25 | 118.7° | 115.3° |
| C30 | C24 | C23 | H23 | 118.0° | 122.3° |
| C30 | C24 | C23 | O22 | 88.0° | 71.1° |
| C30 | C24 | C25 | H23 | 117.0° | 118.9° |
| C30 | C24 | C23 | H11 | 154.0° | 168.9° |
| C30 | C24 | C23 | H12 | 30.0° | 48.9° |
| C30 | C24 | C25 | H24 | 155.3° | 159.9° |
| C24 | C30 | C28 | H29 | 165.2° | 161.5° |
| C24 | C30 | H32 | H33 | 123.8° | 122.0° |
| C14 | N15 | C16 | H36 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 133.3° | 134.9° |
| N15 | C14 | C13 | C17 | 9.3° | 16.3° |
| C14 | N15 | C16 | C17 | 9.7° | 17.0° |
| N15 | C14 | C13 | H4 | 105.3° | 102.5° |
| C14 | N15 | C16 | H5 | 109.5° | 136.0° |
| C14 | N15 | C16 | H6 | 128.9° | 102.0° |
| C13 | C14 | N15 | C16 | 0.1° | 0.4° |
| C14 | C13 | C12 | C17 | 117.7° | 114.8° |
| C14 | C13 | C12 | H4 | 121.4° | 122.7° |
| C14 | C13 | C17 | H4 | 114.6° | 118.8° |
| C14 | C13 | C17 | C16 | 15.0° | 24.8° |
| C14 | C13 | C12 | C11 | 179.0° | 179.6° |
| C14 | C13 | C12 | H2 | 58.4° | 59.6° |
| C14 | C13 | C12 | H3 | 60.4° | 60.4° |
| C14 | C13 | C17 | H7 | 104.7° | 93.3° |
| C14 | C13 | C17 | H8 | 134.8° | 142.9° |
| C13 | C14 | N15 | H36 | 179.9° | 179.6° |
| C29 | C25 | C24 | C23 | 151.6° | 152.6° |
| C29 | C25 | C24 | H24 | 123.7° | 126.2° |
| C29 | C25 | C24 | H23 | 85.5° | 85.1° |
| C29 | C25 | C26 | H25 | 76.1° | 152.8° |
| C29 | C25 | C26 | H26 | 162.1° | 84.9° |
| C25 | C29 | C28 | H29 | 175.9° | 179.8° |
| C25 | C29 | H30 | H31 | 127.5° | 127.5° |
| N15 | C16 | C17 | C13 | 15.3° | 25.4° |
| N15 | C16 | C17 | H5 | 119.2° | 119.0° |
| N15 | C16 | C17 | H6 | 119.2° | 119.0° |
| N15 | C16 | H5 | H6 | 122.3° | 122.0° |
| N15 | C16 | C17 | H7 | 104.4° | 92.7° |
| N15 | C16 | C17 | H8 | 135.1° | 143.5° |
| C24 | C23 | O22 | H11 | 118.0° | 120.0° |
| C24 | C23 | O22 | H12 | 118.0° | 120.1° |
| C23 | C24 | C25 | H23 | 122.9° | 122.3° |
| C24 | C23 | O22 | C02 | 178.8° | 180.0° |
| C24 | C23 | H11 | H12 | 125.6° | 120.0° |
| C23 | C24 | C25 | H24 | 84.7° | 81.3° |
| C23 | C24 | C30 | H32 | 0.1° | 123.3° |
| C23 | C24 | C30 | H33 | 122.5° | 0.7° |
| C23 | O22 | C02 | O01 | 9.2° | 0.0° |
| O22 | C23 | C24 | C25 | 153.3° | 173.6° |
| C23 | O22 | C02 | N03 | 170.7° | 180.0° |
| O22 | C23 | H11 | H12 | 125.6° | 119.9° |
| O22 | C23 | C24 | H23 | 30.0° | 51.2° |
| O01 | C02 | O22 | N03 | 179.9° | 180.0° |
| O01 | C02 | N03 | C04 | 9.4° | 5.0° |
| O01 | C02 | N03 | H34 | 170.6° | 174.9° |
| C25 | C24 | C23 | H11 | 35.2° | 53.6° |
| C25 | C24 | C23 | H12 | 88.7° | 66.4° |
| C24 | C25 | C26 | H25 | 179.8° | 48.5° |
| C24 | C25 | C26 | H26 | 58.4° | 170.8° |
| C24 | C25 | C29 | H30 | 61.1° | 170.6° |
| C24 | C25 | C29 | H31 | 173.4° | 62.4° |
| C25 | C24 | C30 | H32 | 125.1° | 117.9° |
| C25 | C24 | C30 | H33 | 112.2° | 119.5° |
| C12 | C13 | C17 | H4 | 120.9° | 122.5° |
| C12 | C13 | C17 | C16 | 139.5° | 143.5° |
| C13 | C12 | C11 | H2 | 120.6° | 120.0° |
| C13 | C12 | C11 | H3 | 120.6° | 120.0° |
| C13 | C12 | C11 | N10 | 64.2° | 65.4° |
| C13 | C12 | C11 | C19 | 174.4° | 174.6° |
| C13 | C12 | C11 | H1 | 56.0° | 54.6° |
| C13 | C12 | H2 | H3 | 118.2° | 120.0° |
| C12 | C13 | C17 | H7 | 19.7° | 25.4° |
| C12 | C13 | C17 | H8 | 100.8° | 98.5° |
| C13 | C17 | C16 | H7 | 119.8° | 118.1° |
| C13 | C17 | C16 | H8 | 119.8° | 118.1° |
| C17 | C13 | C12 | C11 | 61.3° | 65.6° |
| C17 | C13 | C12 | H2 | 59.4° | 174.4° |
| C17 | C13 | C12 | H3 | 178.1° | 54.4° |
| C13 | C17 | C16 | H5 | 103.9° | 144.4° |
| C13 | C17 | C16 | H6 | 134.6° | 93.6° |
| C13 | C17 | H7 | H8 | 120.7° | 123.9° |
| O22 | C02 | N03 | C04 | 170.5° | 175.0° |
| C02 | O22 | C23 | H11 | 63.2° | 59.9° |
| C02 | O22 | C23 | H12 | 60.8° | 60.0° |
| O22 | C02 | N03 | H34 | 9.5° | 5.1° |
| C02 | N03 | C04 | H34 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 54.1° | 151.4° |
| C02 | N03 | C04 | C05 | 179.1° | 88.6° |
| C02 | N03 | C04 | H13 | 62.9° | 31.4° |
| C16 | C17 | C13 | H4 | 99.6° | 94.0° |
| C17 | C16 | H5 | H6 | 122.3° | 121.9° |
| C16 | C17 | H7 | H8 | 120.7° | 123.8° |
| C17 | C16 | N15 | H36 | 170.3° | 163.0° |
| C12 | C11 | N10 | C09 | 106.4° | 153.2° |
| C12 | C11 | N10 | C19 | 121.5° | 120.0° |
| C12 | C11 | N10 | H1 | 119.4° | 120.0° |
| C12 | C11 | C19 | H1 | 117.9° | 120.0° |
| C12 | C11 | C19 | O20 | 177.3° | 175.0° |
| C11 | C12 | H2 | H3 | 118.2° | 120.0° |
| C11 | C12 | C13 | H4 | 59.6° | 56.9° |
| C12 | C11 | C19 | S1 | 62.2° | 65.0° |
| C12 | C11 | C19 | H10 | 62.7° | 55.0° |
| C12 | C11 | N10 | H35 | 73.5° | 26.8° |
| C07 | C06 | C05 | C04 | 62.4° | 66.7° |
| C07 | C06 | C05 | C08 | 124.1° | 120.0° |
| C07 | C06 | C05 | H16 | 118.3° | 120.0° |
| C07 | C06 | C08 | H16 | 117.9° | 120.1° |
| C07 | C06 | C05 | H14 | 176.9° | 53.4° |
| C07 | C06 | C05 | H15 | 58.3° | 173.3° |
| C06 | C07 | H17 | H18 | 120.0° | 120.0° |
| C06 | C07 | H17 | H19 | 120.0° | 120.0° |
| C06 | C07 | H18 | H19 | 120.0° | 119.9° |
| C07 | C06 | C08 | H20 | 180.0° | 180.0° |
| C07 | C06 | C08 | H21 | 60.0° | 60.1° |
| C07 | C06 | C08 | H22 | 60.0° | 60.0° |
| N03 | C04 | C09 | C05 | 123.8° | 120.0° |
| N03 | C04 | C09 | H13 | 117.6° | 120.0° |
| N03 | C04 | C05 | H13 | 118.5° | 120.0° |
| N03 | C04 | C09 | N10 | 144.0° | 165.0° |
| N03 | C04 | C09 | O21 | 35.2° | 15.0° |
| N03 | C04 | C05 | C06 | 60.7° | 169.0° |
| N03 | C04 | C05 | H14 | 60.0° | 49.0° |
| N03 | C04 | C05 | H15 | 178.6° | 71.0° |
| C09 | C04 | C05 | H13 | 118.6° | 120.0° |
| C04 | C09 | N10 | O21 | 179.1° | 180.0° |
| C04 | C09 | N10 | C11 | 179.5° | 173.9° |
| C09 | C04 | C05 | C06 | 176.4° | 71.0° |
| C09 | C04 | C05 | H14 | 62.9° | 169.0° |
| C09 | C04 | C05 | H15 | 55.7° | 49.0° |
| C09 | C04 | N03 | H34 | 125.9° | 28.5° |
| C04 | C09 | N10 | H35 | 0.4° | 6.1° |
| C05 | C04 | C09 | N10 | 92.2° | 75.0° |
| C05 | C04 | C09 | O21 | 88.6° | 105.0° |
| C04 | C05 | C06 | H14 | 120.7° | 120.0° |
| C04 | C05 | C06 | H15 | 120.7° | 120.0° |
| C04 | C05 | C06 | C08 | 173.5° | 173.4° |
| C04 | C05 | H14 | H15 | 117.8° | 120.0° |
| C04 | C05 | C06 | H16 | 55.9° | 53.4° |
| C05 | C04 | N03 | H34 | 0.9° | 91.5° |
| C09 | N10 | C11 | H35 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 132.1° | 86.8° |
| C09 | N10 | C11 | H1 | 13.0° | 33.2° |
| N10 | C09 | C04 | H13 | 26.3° | 45.1° |
| C11 | N10 | C09 | O21 | 0.4° | 6.1° |
| N10 | C11 | C19 | H1 | 119.6° | 120.0° |
| N10 | C11 | C19 | O20 | 60.2° | 65.0° |
| N10 | C11 | C12 | H2 | 175.2° | 54.6° |
| N10 | C11 | C12 | H3 | 56.4° | 174.6° |
| N10 | C11 | C19 | S1 | 60.3° | 55.0° |
| N10 | C11 | C19 | H10 | 174.9° | 175.0° |
| O21 | C09 | C04 | H13 | 152.8° | 135.0° |
| O21 | C09 | N10 | H35 | 179.6° | 173.8° |
| C11 | C19 | O20 | S1 | 120.4° | 120.0° |
| C11 | C19 | O20 | H10 | 113.8° | 120.0° |
| C19 | C11 | C12 | H2 | 53.7° | 65.4° |
| C19 | C11 | C12 | H3 | 65.0° | 54.6° |
| C11 | C19 | S1 | H10 | 120.4° | 120.0° |
| C19 | C11 | N10 | H35 | 48.0° | 93.1° |
| C11 | C19 | O20 | H37 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 76.8° | 68.4° |
| C11 | C19 | S1 | O2 | 76.8° | 68.4° |
| C11 | C19 | S1 | O3 | 76.8° | 180.0° |
| C05 | C06 | C08 | H16 | 117.9° | 120.0° |
| C06 | C05 | C04 | H13 | 57.8° | 49.0° |
| C06 | C05 | H14 | H15 | 117.8° | 120.0° |
| C05 | C06 | C07 | H17 | 180.0° | 63.9° |
| C05 | C06 | C07 | H18 | 60.0° | 176.0° |
| C05 | C06 | C07 | H19 | 60.0° | 56.1° |
| C05 | C06 | C08 | H20 | 55.7° | 60.0° |
| C05 | C06 | C08 | H21 | 64.2° | 180.0° |
| C05 | C06 | C08 | H22 | 175.8° | 60.0° |
| C08 | C06 | C05 | H14 | 52.8° | 66.6° |
| C08 | C06 | C05 | H15 | 65.8° | 53.4° |
| C08 | C06 | C07 | H17 | 55.9° | 56.1° |
| C08 | C06 | C07 | H18 | 64.1° | 64.0° |
| C08 | C06 | C07 | H19 | 175.9° | 176.1° |
| C06 | C08 | H20 | H21 | 120.0° | 120.0° |
| C06 | C08 | H20 | H22 | 120.0° | 120.0° |
| C06 | C08 | H21 | H22 | 120.0° | 120.0° |
| O20 | C19 | C11 | H1 | 59.4° | 55.0° |
| O20 | C19 | S1 | H10 | 122.0° | 120.0° |
| O20 | C19 | S1 | O1 | 165.6° | 171.6° |
| O20 | C19 | S1 | O2 | 165.6° | 51.6° |
| O20 | C19 | S1 | O3 | 165.6° | 60.0° |
| H1 | C11 | C12 | H2 | 64.6° | 174.6° |
| H1 | C11 | C12 | H3 | 176.6° | 65.4° |
| H1 | C11 | C19 | S1 | 179.8° | 175.0° |
| H1 | C11 | C19 | H10 | 55.3° | 65.0° |
| H1 | C11 | N10 | H35 | 167.1° | 146.9° |
| H2 | C12 | C13 | H4 | 179.8° | 63.1° |
| H3 | C12 | C13 | H4 | 61.0° | 176.9° |
| H4 | C13 | C17 | H7 | 140.6° | 147.9° |
| H4 | C13 | C17 | H8 | 20.2° | 24.0° |
| H5 | C16 | C17 | H7 | 136.3° | 26.3° |
| H5 | C16 | C17 | H8 | 15.9° | 97.5° |
| H5 | C16 | N15 | H36 | 70.5° | 44.0° |
| H6 | C16 | C17 | H7 | 14.8° | 148.3° |
| H6 | C16 | C17 | H8 | 105.6° | 24.5° |
| H6 | C16 | N15 | H36 | 51.1° | 78.0° |
| S1 | C19 | O20 | H37 | 59.6° | 60.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H9 | 90.0° | 180.0° |
| H10 | C19 | O20 | H37 | 66.1° | 180.0° |
| H10 | C19 | S1 | O1 | 43.6° | 51.6° |
| H10 | C19 | S1 | O2 | 43.6° | 171.6° |
| H10 | C19 | S1 | O3 | 43.6° | 60.0° |
| H11 | C23 | C24 | H23 | 88.0° | 68.8° |
| H12 | C23 | C24 | H23 | 148.0° | 171.3° |
| H13 | C04 | C05 | H14 | 178.5° | 71.0° |
| H13 | C04 | C05 | H15 | 62.9° | 169.0° |
| H13 | C04 | N03 | H34 | 117.0° | 148.5° |
| H14 | C05 | C06 | H16 | 64.8° | 173.4° |
| H15 | C05 | C06 | H16 | 176.6° | 66.6° |
| H16 | C06 | C07 | H17 | 61.7° | 176.2° |
| H16 | C06 | C07 | H18 | 178.2° | 56.1° |
| H16 | C06 | C07 | H19 | 58.3° | 63.8° |
| H16 | C06 | C08 | H20 | 62.1° | 59.9° |
| H16 | C06 | C08 | H21 | 177.9° | 60.0° |
| H16 | C06 | C08 | H22 | 58.0° | 179.9° |
| H17 | C07 | H18 | H19 | 120.0° | 120.0° |
| H20 | C08 | H21 | H22 | 120.0° | 120.0° |
| H23 | C24 | C25 | H24 | 38.2° | 41.0° |
| H23 | C24 | C30 | H32 | 117.7° | 1.0° |
| H23 | C24 | C30 | H33 | 4.9° | 121.6° |
| H24 | C25 | C26 | H25 | 48.1° | 80.5° |
| H24 | C25 | C26 | H26 | 73.7° | 41.8° |
| H24 | C25 | C29 | H30 | 63.0° | 63.4° |
| H24 | C25 | C29 | H31 | 62.5° | 63.6° |
| H25 | C26 | C27 | H27 | 11.2° | 0.1° |
| H25 | C26 | C27 | H28 | 132.6° | 122.3° |
| H26 | C26 | C27 | H27 | 110.6° | 122.5° |
| H26 | C26 | C27 | H28 | 10.8° | 0.1° |
| H27 | C27 | C28 | H29 | 32.4° | 80.6° |
| H28 | C27 | C28 | H29 | 89.1° | 41.8° |
| H29 | C28 | C29 | H30 | 66.8° | 63.6° |
| H29 | C28 | C29 | H31 | 58.7° | 63.0° |
| H29 | C28 | C30 | H32 | 76.2° | 41.6° |
| H29 | C28 | C30 | H33 | 46.5° | 80.9° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H9 | 90.0° | 64.0° |
| O2 | S1 | O3 | H9 | 90.0° | 64.0° |
