ESS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N27 | sing | 1.47Å | 1.50Å | |
| C32 | C25 | sing | 1.52Å | 1.57Å | |
| N27 | C26 | sing | 1.47Å | 1.51Å | |
| O18 | C14 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.52Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C33 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.54Å | 1.58Å | |
| C14 | N15 | sing | 1.35Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C23 | C33 | sing | 1.54Å | 1.57Å | |
| C23 | O22 | sing | 1.45Å | 1.42Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| O01 | C02 | doub | 1.22Å | 1.24Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| O22 | C02 | sing | 1.35Å | 1.38Å | |
| C02 | N03 | sing | 1.35Å | 1.37Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| SG | C19 | sing | 1.81Å | 1.80Å | |
| C04 | C09 | sing | 1.51Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N10 | C11 | sing | 1.46Å | 1.48Å | |
| N10 | C09 | sing | 1.35Å | 1.39Å | |
| C11 | C19 | sing | 1.53Å | 1.56Å | |
| C09 | O21 | doub | 1.21Å | 1.23Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C33 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| N03 | H30 | sing | 0.97Å | 1.00Å | |
| N15 | H31 | sing | 0.97Å | 1.00Å | |
| O20 | H34 | sing | 0.97Å | 0.95Å | |
| SG | O1 | sing | 1.52Å | 1.79Å | |
| SG | O3 | doub | 1.42Å | 33.66Å | |
| SG | O2 | doub | 1.42Å | 33.66Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| N27 | S1 | sing | 1.66Å | 38.56Å | |
| S1 | O4 | doub | 1.42Å | 0.00Å | |
| S1 | O6 | doub | 1.42Å | 0.00Å | |
| S1 | C1 | sing | 1.81Å | 0.00Å | |
| C1 | H32 | sing | 1.09Å | 0.00Å | |
| C1 | H35 | sing | 1.09Å | 0.00Å | |
| C1 | H36 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N27 | C32 | C25 | 92.0° | 87.7° |
| C32 | N27 | C26 | 90.2° | 88.2° |
| N27 | C32 | H3 | 113.6° | 113.5° |
| N27 | C32 | H4 | 113.6° | 113.5° |
| C32 | N27 | S1 | 37.9° | 135.9° |
| C32 | C25 | C26 | 85.9° | 84.6° |
| C32 | C25 | C24 | 122.2° | 122.0° |
| C32 | C25 | C33 | 119.7° | 122.0° |
| C25 | C32 | H3 | 113.7° | 113.5° |
| C25 | C32 | H4 | 113.6° | 113.5° |
| N27 | C26 | C25 | 91.7° | 87.6° |
| N27 | C26 | H9 | 113.7° | 113.5° |
| N27 | C26 | H10 | 113.7° | 113.6° |
| C26 | N27 | S1 | 121.1° | 135.9° |
| O18 | C14 | N15 | 122.3° | 124.9° |
| O18 | C14 | C13 | 127.4° | 124.9° |
| C26 | C25 | C24 | 124.9° | 122.0° |
| C26 | C25 | C33 | 121.2° | 122.1° |
| C25 | C26 | H9 | 113.7° | 113.5° |
| C25 | C26 | H10 | 113.7° | 113.5° |
| C24 | C25 | C33 | 87.0° | 88.3° |
| C25 | C24 | C23 | 91.0° | 86.7° |
| C25 | C24 | H7 | 113.9° | 113.6° |
| C25 | C24 | H8 | 113.9° | 113.8° |
| C25 | C33 | C23 | 91.4° | 86.8° |
| C25 | C33 | H1 | 113.8° | 113.7° |
| C25 | C33 | H2 | 113.8° | 113.7° |
| C24 | C23 | C33 | 85.2° | 87.4° |
| C24 | C23 | O22 | 114.7° | 113.6° |
| C24 | C23 | H6 | 109.7° | 113.7° |
| C23 | C24 | H7 | 113.9° | 113.6° |
| C23 | C24 | H8 | 113.9° | 113.7° |
| N15 | C14 | C13 | 110.3° | 110.2° |
| C14 | N15 | C16 | 112.3° | 111.3° |
| C14 | N15 | H31 | 123.9° | 124.4° |
| C14 | C13 | C12 | 109.6° | 110.5° |
| C14 | C13 | C17 | 103.8° | 104.2° |
| C14 | C13 | H19 | 110.7° | 110.6° |
| C33 | C23 | O22 | 122.3° | 113.6° |
| C23 | C33 | H1 | 113.8° | 113.7° |
| C23 | C33 | H2 | 113.7° | 113.7° |
| C33 | C23 | H6 | 109.8° | 113.6° |
| C23 | O22 | C02 | 120.1° | 117.0° |
| O22 | C23 | H6 | 112.1° | 112.7° |
| N15 | C16 | C17 | 104.7° | 105.5° |
| N15 | C16 | H14 | 110.6° | 110.3° |
| N15 | C16 | H15 | 110.6° | 110.4° |
| C16 | N15 | H31 | 123.8° | 124.3° |
| O01 | C02 | O22 | 118.3° | 120.0° |
| O01 | C02 | N03 | 122.3° | 120.0° |
| C12 | C13 | C17 | 111.9° | 110.5° |
| C13 | C12 | C11 | 112.7° | 109.5° |
| C13 | C12 | H17 | 108.7° | 109.4° |
| C13 | C12 | H18 | 108.7° | 109.5° |
| C12 | C13 | H19 | 110.4° | 110.5° |
| C13 | C17 | C16 | 105.9° | 101.8° |
| C13 | C17 | H11 | 110.4° | 111.0° |
| C13 | C17 | H12 | 110.4° | 111.0° |
| C17 | C13 | H19 | 110.4° | 110.5° |
| O22 | C02 | N03 | 119.3° | 120.0° |
| C02 | N03 | C04 | 123.5° | 120.0° |
| C02 | N03 | H30 | 118.2° | 120.0° |
| C16 | C17 | H11 | 110.4° | 111.0° |
| C16 | C17 | H12 | 110.4° | 111.0° |
| C17 | C16 | H14 | 110.6° | 110.2° |
| C17 | C16 | H15 | 110.7° | 110.2° |
| C12 | C11 | N10 | 110.1° | 109.5° |
| C12 | C11 | C19 | 108.2° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.4° |
| C11 | C12 | H17 | 108.7° | 109.5° |
| C11 | C12 | H18 | 108.7° | 109.5° |
| C07 | C06 | C05 | 111.9° | 109.5° |
| C07 | C06 | C08 | 108.2° | 109.5° |
| C07 | C06 | H23 | 108.0° | 109.5° |
| C06 | C07 | H24 | 109.5° | 109.5° |
| C06 | C07 | H25 | 109.5° | 109.5° |
| C06 | C07 | H26 | 109.5° | 109.4° |
| N03 | C04 | C09 | 110.3° | 109.5° |
| N03 | C04 | C05 | 109.3° | 109.5° |
| N03 | C04 | H20 | 110.1° | 109.5° |
| C04 | N03 | H30 | 118.2° | 119.9° |
| SG | C19 | C11 | 108.6° | 109.5° |
| SG | C19 | O20 | 108.0° | 109.5° |
| SG | C19 | H13 | 108.7° | 109.5° |
| C19 | SG | O1 | 99.0° | 104.5° |
| C19 | SG | O3 | 129.8° | 110.5° |
| C19 | SG | O2 | 129.8° | 110.5° |
| C09 | C04 | C05 | 109.3° | 109.5° |
| C04 | C09 | N10 | 119.0° | 120.0° |
| C04 | C09 | O21 | 120.8° | 120.0° |
| C09 | C04 | H20 | 108.7° | 109.5° |
| C04 | C05 | C06 | 113.0° | 109.5° |
| C05 | C04 | H20 | 109.0° | 109.4° |
| C04 | C05 | H21 | 108.6° | 109.5° |
| C04 | C05 | H22 | 108.6° | 109.5° |
| C11 | N10 | C09 | 122.6° | 120.0° |
| N10 | C11 | C19 | 110.1° | 109.5° |
| C11 | N10 | H5 | 118.7° | 120.0° |
| N10 | C11 | H16 | 110.2° | 109.5° |
| N10 | C09 | O21 | 120.2° | 120.0° |
| C09 | N10 | H5 | 118.7° | 120.0° |
| C11 | C19 | O20 | 105.6° | 109.5° |
| C11 | C19 | H13 | 111.6° | 109.4° |
| C19 | C11 | H16 | 109.2° | 109.4° |
| C05 | C06 | C08 | 112.9° | 109.4° |
| C06 | C05 | H21 | 108.6° | 109.4° |
| C06 | C05 | H22 | 108.6° | 109.5° |
| C05 | C06 | H23 | 107.8° | 109.5° |
| C08 | C06 | H23 | 108.0° | 109.4° |
| C06 | C08 | H27 | 109.5° | 109.4° |
| C06 | C08 | H28 | 109.4° | 109.5° |
| C06 | C08 | H29 | 109.4° | 109.4° |
| O20 | C19 | H13 | 114.1° | 109.5° |
| C19 | O20 | H34 | 109.5° | 114.0° |
| H1 | C33 | H2 | 109.5° | 112.9° |
| H3 | C32 | H4 | 109.5° | 112.9° |
| H7 | C24 | H8 | 109.5° | 112.9° |
| H9 | C26 | H10 | 109.5° | 112.8° |
| H11 | C17 | H12 | 109.5° | 110.9° |
| H14 | C16 | H15 | 109.5° | 110.2° |
| H17 | C12 | H18 | 109.4° | 109.5° |
| H21 | C05 | H22 | 109.5° | 109.5° |
| H24 | C07 | H25 | 109.4° | 109.5° |
| H24 | C07 | H26 | 109.5° | 109.5° |
| H25 | C07 | H26 | 109.5° | 109.5° |
| H27 | C08 | H28 | 109.5° | 109.4° |
| H27 | C08 | H29 | 109.5° | 109.5° |
| H28 | C08 | H29 | 109.5° | 109.5° |
| O1 | SG | O3 | 83.1° | 104.3° |
| O1 | SG | O2 | 83.1° | 104.3° |
| SG | O1 | H33 | 109.5° | 114.0° |
| O3 | SG | O2 | 0.0° | 121.1° |
| N27 | S1 | O4 | 90.0° | 104.3° |
| N27 | S1 | O6 | 90.0° | 104.3° |
| N27 | S1 | C1 | 90.0° | 104.4° |
| O4 | S1 | O6 | 90.0° | 121.1° |
| O4 | S1 | C1 | 90.0° | 110.5° |
| O6 | S1 | C1 | 90.0° | 110.5° |
| S1 | C1 | H32 | 90.0° | 109.5° |
| S1 | C1 | H35 | 90.0° | 109.5° |
| S1 | C1 | H36 | 90.0° | 109.5° |
| H32 | C1 | H35 | 90.0° | 109.5° |
| H32 | C1 | H36 | 90.0° | 109.5° |
| H35 | C1 | H36 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C32 | C25 | H3 | 117.0° | 114.7° |
| N27 | C32 | C25 | H4 | 116.9° | 114.6° |
| C32 | N27 | C26 | S1 | 23.0° | 179.9° |
| N27 | C32 | C25 | C26 | 3.1° | 25.3° |
| N27 | C32 | C25 | C24 | 126.1° | 150.0° |
| N27 | C32 | C25 | C33 | 127.1° | 99.5° |
| N27 | C32 | H3 | H4 | 128.2° | 130.9° |
| C32 | N27 | C26 | H9 | 120.1° | 140.8° |
| C32 | N27 | C26 | H10 | 113.7° | 88.6° |
| C32 | N27 | S1 | O4 | 90.0° | 153.9° |
| C32 | N27 | S1 | O6 | 90.0° | 26.0° |
| C32 | N27 | S1 | C1 | 90.0° | 90.1° |
| C32 | C25 | C26 | C24 | 127.0° | 124.7° |
| C32 | C25 | C26 | C33 | 122.6° | 124.7° |
| C32 | C25 | C24 | C33 | 123.7° | 127.4° |
| C32 | C25 | C24 | C23 | 106.2° | 102.8° |
| C32 | C25 | C33 | C23 | 108.2° | 102.8° |
| C32 | C25 | C33 | H1 | 134.9° | 11.7° |
| C32 | C25 | C33 | H2 | 8.6° | 142.7° |
| C25 | C32 | H3 | H4 | 128.3° | 130.9° |
| C32 | C25 | C24 | H7 | 10.6° | 142.8° |
| C32 | C25 | C24 | H8 | 137.0° | 11.7° |
| C32 | C25 | C26 | H9 | 120.0° | 140.0° |
| C32 | C25 | C26 | H10 | 113.8° | 89.5° |
| C25 | C32 | N27 | S1 | 150.2° | 154.0° |
| N27 | C26 | C25 | H9 | 116.9° | 114.7° |
| N27 | C26 | C25 | H10 | 116.9° | 114.8° |
| N27 | C26 | C25 | C24 | 123.9° | 149.9° |
| N27 | C26 | C25 | C33 | 125.7° | 99.4° |
| C26 | N27 | C32 | H3 | 113.7° | 88.6° |
| C26 | N27 | C32 | H4 | 120.2° | 140.7° |
| N27 | C26 | H9 | H10 | 128.4° | 131.0° |
| C26 | N27 | S1 | O4 | 90.0° | 26.0° |
| C26 | N27 | S1 | O6 | 90.0° | 153.9° |
| C26 | N27 | S1 | C1 | 90.0° | 90.0° |
| O18 | C14 | N15 | C13 | 179.2° | 180.0° |
| O18 | C14 | N15 | C16 | 179.5° | 179.5° |
| O18 | C14 | C13 | C12 | 50.4° | 45.2° |
| O18 | C14 | C13 | C17 | 170.0° | 163.8° |
| O18 | C14 | C13 | H19 | 71.6° | 77.5° |
| O18 | C14 | N15 | H31 | 0.5° | 0.4° |
| C26 | C25 | C24 | C33 | 126.7° | 127.5° |
| C26 | C25 | C24 | C23 | 144.1° | 152.2° |
| C26 | C25 | C33 | C23 | 147.3° | 152.1° |
| C26 | C25 | C33 | H1 | 30.4° | 93.4° |
| C26 | C25 | C33 | H2 | 95.9° | 37.6° |
| C26 | C25 | C32 | H3 | 113.8° | 89.4° |
| C26 | C25 | C32 | H4 | 120.1° | 139.9° |
| C26 | C25 | C24 | H7 | 99.1° | 37.8° |
| C26 | C25 | C24 | H8 | 27.3° | 93.3° |
| C25 | C26 | H9 | H10 | 128.4° | 130.9° |
| C25 | C26 | N27 | S1 | 26.3° | 154.0° |
| C25 | C24 | C23 | H7 | 116.8° | 114.4° |
| C25 | C24 | C23 | H8 | 116.8° | 114.6° |
| C24 | C25 | C33 | C23 | 17.6° | 24.6° |
| C25 | C24 | C23 | O22 | 140.7° | 139.0° |
| C24 | C25 | C33 | H1 | 99.3° | 139.1° |
| C24 | C25 | C33 | H2 | 134.4° | 89.9° |
| C24 | C25 | C32 | H3 | 116.9° | 35.3° |
| C24 | C25 | C32 | H4 | 9.2° | 95.4° |
| C25 | C24 | C23 | H6 | 92.1° | 90.2° |
| C25 | C24 | H7 | H8 | 128.7° | 131.6° |
| C24 | C25 | C26 | H9 | 7.0° | 95.4° |
| C24 | C25 | C26 | H10 | 119.2° | 35.2° |
| C25 | C33 | C23 | H1 | 116.9° | 114.5° |
| C25 | C33 | C23 | H2 | 116.9° | 114.5° |
| C25 | C33 | C23 | O22 | 133.6° | 139.1° |
| C25 | C33 | H1 | H2 | 128.6° | 131.5° |
| C33 | C25 | C32 | H3 | 10.1° | 145.8° |
| C33 | C25 | C32 | H4 | 116.0° | 15.1° |
| C25 | C33 | C23 | H6 | 92.0° | 90.3° |
| C33 | C25 | C24 | H7 | 134.2° | 89.8° |
| C33 | C25 | C24 | H8 | 99.3° | 139.2° |
| C33 | C25 | C26 | H9 | 117.4° | 15.2° |
| C33 | C25 | C26 | H10 | 8.8° | 145.8° |
| C24 | C23 | C33 | O22 | 116.3° | 114.7° |
| C24 | C23 | C33 | H6 | 109.2° | 114.7° |
| C24 | C23 | O22 | H6 | 126.0° | 131.2° |
| C24 | C23 | O22 | C02 | 151.7° | 112.1° |
| C24 | C23 | C33 | H1 | 99.6° | 138.9° |
| C24 | C23 | C33 | H2 | 134.1° | 90.1° |
| C23 | C24 | H7 | H8 | 128.7° | 131.4° |
| C14 | N15 | C16 | H31 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 130.5° | 134.9° |
| N15 | C14 | C13 | C17 | 10.9° | 16.2° |
| C14 | N15 | C16 | C17 | 10.4° | 17.0° |
| C14 | N15 | C16 | H14 | 108.8° | 136.0° |
| C14 | N15 | C16 | H15 | 129.7° | 102.0° |
| N15 | C14 | C13 | H19 | 107.6° | 102.5° |
| C13 | C14 | N15 | C16 | 0.3° | 0.4° |
| C14 | C13 | C12 | C17 | 114.5° | 114.7° |
| C14 | C13 | C12 | H19 | 122.2° | 122.7° |
| C14 | C13 | C17 | H19 | 118.7° | 118.8° |
| C14 | C13 | C17 | C16 | 16.6° | 24.8° |
| C14 | C13 | C12 | C11 | 177.8° | 179.2° |
| C14 | C13 | C17 | H11 | 102.9° | 142.9° |
| C14 | C13 | C17 | H12 | 136.0° | 93.4° |
| C14 | C13 | C12 | H17 | 61.7° | 59.3° |
| C14 | C13 | C12 | H18 | 57.4° | 60.7° |
| C13 | C14 | N15 | H31 | 179.7° | 179.6° |
| C33 | C23 | O22 | H6 | 133.6° | 131.0° |
| C33 | C23 | O22 | C02 | 107.8° | 150.0° |
| C23 | C33 | H1 | H2 | 128.5° | 131.4° |
| C33 | C23 | C24 | H7 | 134.0° | 89.9° |
| C33 | C23 | C24 | H8 | 99.5° | 139.1° |
| C23 | O22 | C02 | O01 | 13.2° | 0.1° |
| C23 | O22 | C02 | N03 | 167.0° | 180.0° |
| O22 | C23 | C33 | H1 | 16.7° | 106.4° |
| O22 | C23 | C33 | H2 | 109.5° | 24.6° |
| O22 | C23 | C24 | H7 | 102.5° | 24.7° |
| O22 | C23 | C24 | H8 | 24.0° | 106.3° |
| N15 | C16 | C17 | C13 | 16.6° | 25.4° |
| N15 | C16 | C17 | H14 | 119.2° | 119.0° |
| N15 | C16 | C17 | H15 | 119.3° | 119.1° |
| N15 | C16 | C17 | H11 | 102.8° | 143.5° |
| N15 | C16 | C17 | H12 | 136.0° | 92.7° |
| N15 | C16 | H14 | H15 | 122.2° | 122.1° |
| O01 | C02 | O22 | N03 | 179.9° | 180.0° |
| O01 | C02 | N03 | C04 | 7.6° | 0.0° |
| O01 | C02 | N03 | H30 | 172.3° | 180.0° |
| C12 | C13 | C17 | H19 | 123.3° | 122.6° |
| C12 | C13 | C17 | C16 | 134.6° | 143.4° |
| C13 | C12 | C11 | H17 | 120.5° | 119.9° |
| C13 | C12 | C11 | H18 | 120.5° | 120.0° |
| C13 | C12 | C11 | N10 | 65.3° | 62.5° |
| C13 | C12 | C11 | C19 | 174.3° | 177.4° |
| C12 | C13 | C17 | H11 | 15.1° | 98.5° |
| C12 | C13 | C17 | H12 | 106.0° | 25.3° |
| C13 | C12 | C11 | H16 | 55.7° | 57.5° |
| C13 | C12 | H17 | H18 | 118.5° | 120.0° |
| C13 | C17 | C16 | H11 | 119.4° | 118.1° |
| C13 | C17 | C16 | H12 | 119.4° | 118.2° |
| C17 | C13 | C12 | C11 | 67.7° | 66.0° |
| C13 | C17 | H11 | H12 | 121.6° | 123.8° |
| C13 | C17 | C16 | H14 | 102.6° | 144.4° |
| C13 | C17 | C16 | H15 | 135.9° | 93.7° |
| C17 | C13 | C12 | H17 | 52.8° | 174.0° |
| C17 | C13 | C12 | H18 | 171.9° | 54.0° |
| O22 | C02 | N03 | C04 | 172.2° | 180.0° |
| C02 | O22 | C23 | H6 | 25.8° | 19.0° |
| O22 | C02 | N03 | H30 | 7.8° | 0.0° |
| C02 | N03 | C04 | H30 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 59.9° | 155.0° |
| C02 | N03 | C04 | C05 | 179.8° | 85.0° |
| C02 | N03 | C04 | H20 | 60.1° | 35.0° |
| C16 | C17 | H11 | H12 | 121.7° | 123.8° |
| C17 | C16 | H14 | H15 | 122.2° | 121.8° |
| C16 | C17 | C13 | H19 | 102.1° | 94.0° |
| C17 | C16 | N15 | H31 | 169.6° | 163.0° |
| C12 | C11 | C19 | SG | 71.8° | 177.7° |
| C12 | C11 | N10 | C19 | 119.2° | 120.1° |
| C12 | C11 | N10 | H16 | 120.3° | 120.0° |
| C12 | C11 | N10 | C09 | 113.6° | 63.2° |
| C12 | C11 | C19 | H16 | 118.5° | 119.9° |
| C12 | C11 | C19 | O20 | 172.5° | 57.7° |
| C12 | C11 | N10 | H5 | 66.4° | 116.8° |
| C12 | C11 | C19 | H13 | 48.0° | 62.3° |
| C11 | C12 | H17 | H18 | 118.5° | 120.0° |
| C11 | C12 | C13 | H19 | 55.7° | 56.6° |
| C07 | C06 | C05 | C04 | 51.5° | 175.0° |
| C07 | C06 | C05 | C08 | 122.4° | 120.0° |
| C07 | C06 | C05 | H23 | 118.5° | 120.1° |
| C07 | C06 | C08 | H23 | 116.6° | 120.0° |
| C07 | C06 | C05 | H21 | 172.0° | 55.0° |
| C07 | C06 | C05 | H22 | 69.1° | 64.9° |
| C06 | C07 | H24 | H25 | 120.0° | 120.0° |
| C06 | C07 | H24 | H26 | 120.0° | 120.0° |
| C06 | C07 | H25 | H26 | 120.0° | 120.0° |
| C07 | C06 | C08 | H27 | 180.0° | 60.0° |
| C07 | C06 | C08 | H28 | 60.0° | 179.9° |
| C07 | C06 | C08 | H29 | 60.0° | 60.0° |
| N03 | C04 | C09 | C05 | 120.2° | 120.0° |
| N03 | C04 | C09 | H20 | 120.8° | 120.0° |
| N03 | C04 | C05 | H20 | 120.4° | 120.0° |
| N03 | C04 | C09 | N10 | 139.6° | 180.0° |
| N03 | C04 | C09 | O21 | 39.3° | 0.0° |
| N03 | C04 | C05 | C06 | 57.1° | 64.9° |
| N03 | C04 | C05 | H21 | 63.4° | 55.0° |
| N03 | C04 | C05 | H22 | 177.7° | 175.0° |
| SG | C19 | C11 | N10 | 48.5° | 62.2° |
| SG | C19 | C11 | O20 | 115.6° | 120.0° |
| SG | C19 | C11 | H13 | 119.8° | 120.0° |
| SG | C19 | O20 | H13 | 121.0° | 120.0° |
| SG | C19 | C11 | H16 | 169.6° | 57.8° |
| SG | C19 | O20 | H34 | 180.0° | 180.0° |
| C19 | SG | O1 | O3 | 129.3° | 116.1° |
| C19 | SG | O1 | O2 | 129.3° | 116.1° |
| C19 | SG | O3 | O2 | 90.0° | 131.5° |
| C19 | SG | O1 | H33 | 180.0° | 180.0° |
| C09 | C04 | C05 | H20 | 118.7° | 120.0° |
| C04 | C09 | N10 | C11 | 179.7° | 175.0° |
| C04 | C09 | N10 | O21 | 178.9° | 180.0° |
| C09 | C04 | C05 | C06 | 178.0° | 175.0° |
| C04 | C09 | N10 | H5 | 0.3° | 5.1° |
| C09 | C04 | C05 | H21 | 57.5° | 65.0° |
| C09 | C04 | C05 | H22 | 61.5° | 54.9° |
| C09 | C04 | N03 | H30 | 120.1° | 25.0° |
| C05 | C04 | C09 | N10 | 100.1° | 60.0° |
| C05 | C04 | C09 | O21 | 81.0° | 120.0° |
| C04 | C05 | C06 | H21 | 120.5° | 120.0° |
| C04 | C05 | C06 | H22 | 120.5° | 120.1° |
| C04 | C05 | C06 | C08 | 173.8° | 65.0° |
| C04 | C05 | H21 | H22 | 118.4° | 120.0° |
| C04 | C05 | C06 | H23 | 67.1° | 54.9° |
| C05 | C04 | N03 | H30 | 0.2° | 95.0° |
| C11 | N10 | C09 | H5 | 180.0° | 180.0° |
| N10 | C11 | C19 | H16 | 121.1° | 120.0° |
| C11 | N10 | C09 | O21 | 1.4° | 5.0° |
| N10 | C11 | C19 | O20 | 67.1° | 177.8° |
| N10 | C11 | C19 | H13 | 168.3° | 57.8° |
| N10 | C11 | C12 | H17 | 174.2° | 57.4° |
| N10 | C11 | C12 | H18 | 55.1° | 177.4° |
| C09 | N10 | C11 | C19 | 127.1° | 56.9° |
| C09 | N10 | C11 | H16 | 6.7° | 176.9° |
| N10 | C09 | C04 | H20 | 18.8° | 60.0° |
| C11 | C19 | O20 | H13 | 123.0° | 120.0° |
| C19 | C11 | N10 | H5 | 52.9° | 123.2° |
| C19 | C11 | C12 | H17 | 53.8° | 62.6° |
| C19 | C11 | C12 | H18 | 65.2° | 57.4° |
| C11 | C19 | O20 | H34 | 63.9° | 59.9° |
| C11 | C19 | SG | O1 | 175.7° | 60.1° |
| C11 | C19 | SG | O3 | 87.3° | 51.5° |
| C11 | C19 | SG | O2 | 87.3° | 171.7° |
| O21 | C09 | N10 | H5 | 178.6° | 175.0° |
| O21 | C09 | C04 | H20 | 160.1° | 120.0° |
| C05 | C06 | C08 | H23 | 119.0° | 120.0° |
| C06 | C05 | C04 | H20 | 63.3° | 55.1° |
| C06 | C05 | H21 | H22 | 118.4° | 120.0° |
| C05 | C06 | C07 | H24 | 180.0° | 59.9° |
| C05 | C06 | C07 | H25 | 60.0° | 180.0° |
| C05 | C06 | C07 | H26 | 60.0° | 60.0° |
| C05 | C06 | C08 | H27 | 55.6° | 60.0° |
| C05 | C06 | C08 | H28 | 64.4° | 60.0° |
| C05 | C06 | C08 | H29 | 175.6° | 179.9° |
| C08 | C06 | C05 | H21 | 65.7° | 175.0° |
| C08 | C06 | C05 | H22 | 53.3° | 55.0° |
| C08 | C06 | C07 | H24 | 55.0° | 60.0° |
| C08 | C06 | C07 | H25 | 65.0° | 60.0° |
| C08 | C06 | C07 | H26 | 175.0° | 180.0° |
| C06 | C08 | H27 | H28 | 120.0° | 120.0° |
| C06 | C08 | H27 | H29 | 120.0° | 119.9° |
| C06 | C08 | H28 | H29 | 120.0° | 120.0° |
| O20 | C19 | C11 | H16 | 54.0° | 62.2° |
| O20 | C19 | SG | O1 | 70.2° | 179.9° |
| O20 | C19 | SG | O3 | 158.6° | 68.5° |
| O20 | C19 | SG | O2 | 158.6° | 68.3° |
| H1 | C33 | C23 | H6 | 151.2° | 24.2° |
| H2 | C33 | C23 | H6 | 24.9° | 155.2° |
| H3 | C32 | N27 | S1 | 33.2° | 91.3° |
| H4 | C32 | N27 | S1 | 92.9° | 39.3° |
| H5 | N10 | C11 | H16 | 173.4° | 3.2° |
| H6 | C23 | C24 | H7 | 24.7° | 155.4° |
| H6 | C23 | C24 | H8 | 151.2° | 24.4° |
| H9 | C26 | N27 | S1 | 143.2° | 39.3° |
| H10 | C26 | N27 | S1 | 90.6° | 91.3° |
| H11 | C17 | C16 | H14 | 137.9° | 97.5° |
| H11 | C17 | C16 | H15 | 16.4° | 24.4° |
| H11 | C17 | C13 | H19 | 138.4° | 24.1° |
| H12 | C17 | C16 | H14 | 16.8° | 26.3° |
| H12 | C17 | C16 | H15 | 104.7° | 148.1° |
| H12 | C17 | C13 | H19 | 17.3° | 147.8° |
| H13 | C19 | C11 | H16 | 70.6° | 177.8° |
| H13 | C19 | O20 | H34 | 59.1° | 60.0° |
| H13 | C19 | SG | O1 | 54.1° | 59.9° |
| H13 | C19 | SG | O3 | 34.3° | 171.5° |
| H13 | C19 | SG | O2 | 34.3° | 51.7° |
| H14 | C16 | N15 | H31 | 71.2° | 44.1° |
| H15 | C16 | N15 | H31 | 50.3° | 78.0° |
| H16 | C11 | C12 | H17 | 64.8° | 177.4° |
| H16 | C11 | C12 | H18 | 176.2° | 62.6° |
| H17 | C12 | C13 | H19 | 176.2° | 63.4° |
| H18 | C12 | C13 | H19 | 64.8° | 176.6° |
| H20 | C04 | C05 | H21 | 176.2° | 175.0° |
| H20 | C04 | C05 | H22 | 57.3° | 65.0° |
| H20 | C04 | N03 | H30 | 119.9° | 145.0° |
| H21 | C05 | C06 | H23 | 53.5° | 65.0° |
| H22 | C05 | C06 | H23 | 172.4° | 175.0° |
| H23 | C06 | C07 | H24 | 61.6° | 180.0° |
| H23 | C06 | C07 | H25 | 178.4° | 60.0° |
| H23 | C06 | C07 | H26 | 58.4° | 60.0° |
| H23 | C06 | C08 | H27 | 63.4° | 180.0° |
| H23 | C06 | C08 | H28 | 176.6° | 60.0° |
| H23 | C06 | C08 | H29 | 56.6° | 60.0° |
| H24 | C07 | H25 | H26 | 120.0° | 120.0° |
| H27 | C08 | H28 | H29 | 120.0° | 120.0° |
| O1 | SG | O3 | O2 | 90.0° | 116.7° |
| O3 | SG | O1 | H33 | 50.7° | 63.9° |
| O2 | SG | O1 | H33 | 50.7° | 64.0° |
| N27 | S1 | O4 | O6 | 90.0° | 116.8° |
| N27 | S1 | O4 | C1 | 90.0° | 111.7° |
| N27 | S1 | O6 | C1 | 90.0° | 111.7° |
| N27 | S1 | C1 | H32 | 90.0° | 60.0° |
| N27 | S1 | C1 | H35 | 90.0° | 180.0° |
| N27 | S1 | C1 | H36 | 90.0° | 60.0° |
| O4 | S1 | O6 | C1 | 90.0° | 131.5° |
| O4 | S1 | C1 | H32 | 90.0° | 51.6° |
| O4 | S1 | C1 | H35 | 90.0° | 68.4° |
| O4 | S1 | C1 | H36 | 90.0° | 171.6° |
| O6 | S1 | C1 | H32 | 90.0° | 171.6° |
| O6 | S1 | C1 | H35 | 90.0° | 68.4° |
| O6 | S1 | C1 | H36 | 90.0° | 51.6° |
| S1 | C1 | H32 | H35 | 90.0° | 120.0° |
| S1 | C1 | H32 | H36 | 90.0° | 120.0° |
| S1 | C1 | H35 | H36 | 90.0° | 120.0° |
| H32 | C1 | H35 | H36 | 90.0° | 120.0° |
