VQS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | O34 | sing | 1.43Å | 1.40Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| O34 | C35 | sing | 1.43Å | 1.40Å | |
| C32 | N03 | sing | 1.47Å | 1.48Å | |
| C35 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| N03 | C02 | sing | 1.47Å | 1.49Å | |
| N03 | C04 | sing | 1.39Å | 1.49Å | |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | N31 | sing | 1.33Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.56Å | |
| C07 | S10 | sing | 1.81Å | 1.86Å | |
| C06 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| N31 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| O14 | S10 | doub | 1.42Å | 1.47Å | |
| N16 | C17 | sing | 1.33Å | 1.33Å | Aromatic |
| S10 | O15 | doub | 1.42Å | 1.47Å | |
| S10 | C11 | sing | 1.81Å | 1.84Å | |
| C17 | C18 | sing | 1.48Å | 1.55Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C18 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.40Å | 1.49Å | |
| N24 | C25 | sing | 1.35Å | 1.48Å | |
| C25 | S30 | doub | 1.71Å | 1.60Å | |
| C25 | N26 | sing | 1.35Å | 1.47Å | |
| N26 | C27 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| O29 | C28 | sing | 1.43Å | 1.41Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| N24 | H29 | sing | 0.97Å | 1.00Å | |
| N26 | H30 | sing | 0.97Å | 1.00Å | |
| O29 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C33 | C32 | 111.7° | 109.3° |
| C33 | O34 | C35 | 114.8° | 113.7° |
| O34 | C33 | H25 | 108.9° | 109.6° |
| O34 | C33 | H26 | 108.9° | 109.5° |
| C33 | C32 | N03 | 115.6° | 109.2° |
| C33 | C32 | H23 | 107.9° | 109.6° |
| C33 | C32 | H24 | 107.9° | 109.5° |
| C32 | C33 | H25 | 108.9° | 109.5° |
| C32 | C33 | H26 | 108.9° | 109.5° |
| O34 | C35 | C02 | 116.1° | 109.3° |
| O34 | C35 | H27 | 107.8° | 109.5° |
| O34 | C35 | H28 | 107.8° | 109.6° |
| C32 | N03 | C02 | 114.2° | 110.8° |
| C32 | N03 | C04 | 121.8° | 111.0° |
| N03 | C32 | H23 | 107.9° | 109.5° |
| N03 | C32 | H24 | 107.9° | 109.5° |
| C35 | C02 | C01 | 109.6° | 109.5° |
| C35 | C02 | N03 | 115.3° | 109.3° |
| C35 | C02 | H11 | 107.1° | 109.5° |
| C02 | C35 | H27 | 107.8° | 109.5° |
| C02 | C35 | H28 | 107.8° | 109.5° |
| C01 | C02 | N03 | 109.9° | 109.6° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C01 | C02 | H11 | 107.0° | 109.5° |
| C09 | C08 | C07 | 60.0° | 60.0° |
| C08 | C09 | C07 | 60.3° | 60.0° |
| C09 | C08 | H13 | 120.0° | 117.5° |
| C09 | C08 | H14 | 120.0° | 117.5° |
| C08 | C09 | H15 | 119.9° | 117.5° |
| C08 | C09 | H16 | 119.9° | 117.5° |
| C08 | C07 | C09 | 59.6° | 60.0° |
| C08 | C07 | C06 | 110.3° | 117.5° |
| C08 | C07 | S10 | 110.3° | 117.5° |
| C07 | C08 | H13 | 120.0° | 117.5° |
| C07 | C08 | H14 | 120.0° | 117.5° |
| C02 | N03 | C04 | 121.5° | 110.9° |
| N03 | C02 | H11 | 107.6° | 109.5° |
| N03 | C04 | C05 | 119.6° | 120.5° |
| N03 | C04 | N31 | 119.8° | 120.5° |
| C09 | C07 | C06 | 140.1° | 117.5° |
| C09 | C07 | S10 | 111.9° | 117.5° |
| C07 | C09 | H15 | 119.9° | 117.5° |
| C07 | C09 | H16 | 120.0° | 117.5° |
| C04 | C05 | C06 | 116.6° | 118.5° |
| C05 | C04 | N31 | 120.6° | 119.0° |
| C04 | C05 | H12 | 121.7° | 120.7° |
| C05 | C06 | C07 | 122.2° | 120.3° |
| C05 | C06 | N16 | 119.9° | 119.4° |
| C06 | C05 | H12 | 121.7° | 120.7° |
| C04 | N31 | C17 | 120.3° | 120.6° |
| C06 | C07 | S10 | 107.7° | 115.6° |
| C07 | C06 | N16 | 117.8° | 120.3° |
| C07 | S10 | O14 | 114.9° | 108.6° |
| C07 | S10 | O15 | 109.0° | 108.6° |
| C07 | S10 | C11 | 108.3° | 101.9° |
| C06 | N16 | C17 | 121.5° | 120.9° |
| N31 | C17 | N16 | 121.0° | 121.7° |
| N31 | C17 | C18 | 119.7° | 119.2° |
| O14 | S10 | O15 | 100.5° | 119.2° |
| O14 | S10 | C11 | 111.9° | 108.6° |
| N16 | C17 | C18 | 119.3° | 119.2° |
| O15 | S10 | C11 | 112.2° | 108.6° |
| S10 | C11 | C13 | 114.0° | 117.5° |
| S10 | C11 | C12 | 116.5° | 117.5° |
| S10 | C11 | H17 | 114.8° | 115.6° |
| C17 | C18 | C21 | 119.6° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C11 | C13 | C12 | 60.3° | 60.0° |
| C13 | C11 | C12 | 60.1° | 60.0° |
| C11 | C13 | H1 | 120.0° | 117.5° |
| C11 | C13 | H2 | 119.9° | 117.5° |
| C13 | C11 | H17 | 120.4° | 117.5° |
| C13 | C12 | C11 | 59.6° | 60.0° |
| C12 | C13 | H1 | 120.0° | 117.5° |
| C12 | C13 | H2 | 120.0° | 117.4° |
| C13 | C12 | H18 | 120.1° | 117.4° |
| C13 | C12 | H19 | 120.1° | 117.6° |
| C12 | C11 | H17 | 120.2° | 117.5° |
| C11 | C12 | H18 | 120.1° | 117.4° |
| C11 | C12 | H19 | 120.1° | 117.5° |
| C21 | C18 | C19 | 120.3° | 119.9° |
| C18 | C21 | C22 | 119.5° | 120.0° |
| C18 | C21 | H4 | 120.2° | 120.0° |
| C18 | C19 | C20 | 119.8° | 119.9° |
| C18 | C19 | H20 | 120.1° | 120.0° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C22 | C21 | H4 | 120.2° | 120.0° |
| C21 | C22 | H5 | 119.5° | 119.9° |
| C19 | C20 | C23 | 120.6° | 120.1° |
| C19 | C20 | H3 | 119.7° | 120.0° |
| C20 | C19 | H20 | 120.1° | 120.0° |
| C22 | C23 | C20 | 118.7° | 120.1° |
| C22 | C23 | N24 | 117.9° | 120.0° |
| C23 | C22 | H5 | 119.4° | 120.0° |
| C20 | C23 | N24 | 123.3° | 119.9° |
| C23 | C20 | H3 | 119.7° | 120.0° |
| C23 | N24 | C25 | 130.1° | 120.0° |
| C23 | N24 | H29 | 114.9° | 120.1° |
| N24 | C25 | S30 | 123.8° | 120.0° |
| N24 | C25 | N26 | 117.4° | 120.0° |
| C25 | N24 | H29 | 114.9° | 120.0° |
| S30 | C25 | N26 | 118.8° | 120.0° |
| C25 | N26 | C27 | 121.9° | 120.0° |
| C25 | N26 | H30 | 119.1° | 120.0° |
| N26 | C27 | C28 | 111.4° | 109.5° |
| N26 | C27 | H21 | 109.0° | 109.5° |
| N26 | C27 | H22 | 109.0° | 109.5° |
| C27 | N26 | H30 | 119.1° | 120.0° |
| C27 | C28 | O29 | 112.0° | 109.5° |
| C27 | C28 | H6 | 108.9° | 109.5° |
| C27 | C28 | H7 | 108.8° | 109.5° |
| C28 | C27 | H21 | 109.0° | 109.5° |
| C28 | C27 | H22 | 109.0° | 109.5° |
| O29 | C28 | H6 | 108.8° | 109.5° |
| O29 | C28 | H7 | 108.8° | 109.4° |
| C28 | O29 | H31 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 115.6° |
| H6 | C28 | H7 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H13 | C08 | H14 | 109.5° | 115.5° |
| H15 | C09 | H16 | 109.5° | 115.6° |
| H18 | C12 | H19 | 109.4° | 115.6° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C33 | C32 | H25 | 120.4° | 120.0° |
| O34 | C33 | C32 | H26 | 120.3° | 120.0° |
| O34 | C33 | C32 | N03 | 38.0° | 56.8° |
| C33 | O34 | C35 | C02 | 31.7° | 58.6° |
| O34 | C33 | C32 | H23 | 82.9° | 176.8° |
| O34 | C33 | C32 | H24 | 158.9° | 63.1° |
| O34 | C33 | H25 | H26 | 119.0° | 120.1° |
| C33 | O34 | C35 | H27 | 89.3° | 61.3° |
| C33 | O34 | C35 | H28 | 152.6° | 178.6° |
| C32 | C33 | O34 | C35 | 60.4° | 58.6° |
| C33 | C32 | N03 | H23 | 120.9° | 120.0° |
| C33 | C32 | N03 | H24 | 120.9° | 119.9° |
| C33 | C32 | N03 | C02 | 10.5° | 58.6° |
| C33 | C32 | N03 | C04 | 172.8° | 177.7° |
| C33 | C32 | H23 | H24 | 117.2° | 120.1° |
| C32 | C33 | H25 | H26 | 119.0° | 120.0° |
| O34 | C35 | C02 | H27 | 121.0° | 119.9° |
| O34 | C35 | C02 | H28 | 120.9° | 120.0° |
| O34 | C35 | C02 | C01 | 105.8° | 63.1° |
| O34 | C35 | C02 | N03 | 18.8° | 56.9° |
| O34 | C35 | C02 | H11 | 138.5° | 176.8° |
| C35 | O34 | C33 | H25 | 179.3° | 178.6° |
| C35 | O34 | C33 | H26 | 59.9° | 61.3° |
| O34 | C35 | H27 | H28 | 117.0° | 120.1° |
| C32 | N03 | C02 | C35 | 38.3° | 58.7° |
| C32 | N03 | C02 | C01 | 86.1° | 61.3° |
| C32 | N03 | C02 | C04 | 162.3° | 123.7° |
| C32 | N03 | C04 | C05 | 2.2° | 56.1° |
| C32 | N03 | C04 | N31 | 178.0° | 123.9° |
| C32 | N03 | C02 | H11 | 157.7° | 178.6° |
| N03 | C32 | H23 | H24 | 117.2° | 120.1° |
| N03 | C32 | C33 | H25 | 158.4° | 176.8° |
| N03 | C32 | C33 | H26 | 82.3° | 63.2° |
| C35 | C02 | C01 | N03 | 127.6° | 119.8° |
| C35 | C02 | C01 | H11 | 115.8° | 120.0° |
| C35 | C02 | N03 | H11 | 119.4° | 119.9° |
| C35 | C02 | N03 | C04 | 159.3° | 177.6° |
| C35 | C02 | C01 | H8 | 180.0° | 60.1° |
| C35 | C02 | C01 | H9 | 60.0° | 179.9° |
| C35 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | C35 | H27 | H28 | 117.0° | 120.1° |
| C01 | C02 | N03 | H11 | 116.2° | 120.1° |
| C01 | C02 | N03 | C04 | 76.3° | 62.4° |
| C02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C01 | C02 | C35 | H27 | 15.2° | 176.9° |
| C01 | C02 | C35 | H28 | 133.3° | 56.9° |
| C09 | C08 | C07 | H13 | 109.5° | 107.5° |
| C09 | C08 | C07 | H14 | 109.5° | 107.5° |
| C08 | C09 | C07 | H15 | 109.5° | 107.4° |
| C08 | C09 | C07 | H16 | 109.6° | 107.5° |
| C09 | C08 | C07 | C06 | 136.9° | 107.5° |
| C09 | C08 | C07 | S10 | 104.2° | 107.5° |
| C09 | C08 | H13 | H14 | 144.7° | 145.7° |
| C08 | C09 | H15 | H16 | 144.5° | 145.7° |
| C08 | C07 | C06 | C05 | 6.8° | 85.2° |
| C08 | C07 | C06 | S10 | 120.5° | 145.7° |
| C08 | C07 | C06 | N16 | 173.7° | 94.5° |
| C08 | C07 | S10 | O14 | 29.1° | 97.2° |
| C08 | C07 | S10 | O15 | 82.8° | 33.8° |
| C08 | C07 | S10 | C11 | 154.9° | 148.3° |
| C07 | C08 | H13 | H14 | 144.7° | 145.7° |
| C02 | N03 | C04 | C05 | 163.2° | 179.7° |
| C02 | N03 | C04 | N31 | 16.9° | 0.3° |
| N03 | C02 | C01 | H8 | 52.4° | 179.9° |
| N03 | C02 | C01 | H9 | 67.6° | 60.0° |
| N03 | C02 | C01 | H10 | 172.4° | 59.8° |
| C02 | N03 | C32 | H23 | 131.4° | 178.6° |
| C02 | N03 | C32 | H24 | 110.3° | 61.3° |
| N03 | C02 | C35 | H27 | 139.7° | 63.0° |
| N03 | C02 | C35 | H28 | 102.2° | 176.9° |
| N03 | C04 | C05 | N31 | 179.8° | 180.0° |
| N03 | C04 | C05 | C06 | 179.8° | 179.7° |
| N03 | C04 | N31 | C17 | 179.7° | 179.9° |
| C04 | N03 | C02 | H11 | 39.9° | 57.7° |
| N03 | C04 | C05 | H12 | 0.3° | 0.0° |
| C04 | N03 | C32 | H23 | 66.3° | 57.7° |
| C04 | N03 | C32 | H24 | 51.9° | 62.4° |
| C09 | C07 | C06 | C05 | 59.8° | 153.8° |
| C09 | C07 | C06 | S10 | 172.9° | 145.6° |
| C09 | C07 | C06 | N16 | 119.7° | 25.8° |
| C09 | C07 | S10 | O14 | 35.3° | 165.9° |
| C09 | C07 | S10 | O15 | 147.2° | 34.9° |
| C09 | C07 | S10 | C11 | 90.5° | 79.6° |
| C07 | C09 | H15 | H16 | 144.6° | 145.8° |
| C04 | C05 | C06 | H12 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C06 | N16 | 0.3° | 0.3° |
| C05 | C04 | N31 | C17 | 0.1° | 0.0° |
| C06 | C05 | C04 | N31 | 0.1° | 0.3° |
| C05 | C06 | C07 | N16 | 179.6° | 179.7° |
| C05 | C06 | C07 | S10 | 127.3° | 60.5° |
| C05 | C06 | N16 | C17 | 0.7° | 0.0° |
| C04 | N31 | C17 | N16 | 0.5° | 0.2° |
| C04 | N31 | C17 | C18 | 179.4° | 179.9° |
| N31 | C04 | C05 | H12 | 179.9° | 180.0° |
| C06 | C07 | S10 | O14 | 149.6° | 48.5° |
| C07 | C06 | N16 | C17 | 179.8° | 179.7° |
| C06 | C07 | S10 | O15 | 37.7° | 179.5° |
| C06 | C07 | S10 | C11 | 84.6° | 66.0° |
| C07 | C06 | C05 | H12 | 0.1° | 0.3° |
| C06 | C07 | C08 | H13 | 27.5° | 145.0° |
| C06 | C07 | C08 | H14 | 113.6° | 0.0° |
| C06 | C07 | C09 | H15 | 164.6° | 0.1° |
| C06 | C07 | C09 | H16 | 23.7° | 145.0° |
| S10 | C07 | C06 | N16 | 53.2° | 119.8° |
| C07 | S10 | O14 | O15 | 116.8° | 125.0° |
| C07 | S10 | O14 | C11 | 124.0° | 110.0° |
| C07 | S10 | O15 | C11 | 120.0° | 110.1° |
| C07 | S10 | C11 | C13 | 77.3° | 176.5° |
| C07 | S10 | C11 | C12 | 144.5° | 107.9° |
| S10 | C07 | C08 | H13 | 146.4° | 0.0° |
| S10 | C07 | C08 | H14 | 5.3° | 145.0° |
| S10 | C07 | C09 | H15 | 8.1° | 145.1° |
| S10 | C07 | C09 | H16 | 149.0° | 0.1° |
| C07 | S10 | C11 | H17 | 67.4° | 37.8° |
| C06 | N16 | C17 | N31 | 0.7° | 0.3° |
| C06 | N16 | C17 | C18 | 179.6° | 179.9° |
| N16 | C06 | C05 | H12 | 179.6° | 180.0° |
| N31 | C17 | N16 | C18 | 178.9° | 179.7° |
| N31 | C17 | C18 | C21 | 22.8° | 5.5° |
| N31 | C17 | C18 | C19 | 156.4° | 175.3° |
| O14 | S10 | O15 | C11 | 119.0° | 125.0° |
| O14 | S10 | C11 | C13 | 50.3° | 62.1° |
| O14 | S10 | C11 | C12 | 16.9° | 6.5° |
| O14 | S10 | C11 | H17 | 165.0° | 152.3° |
| N16 | C17 | C18 | C21 | 158.3° | 174.8° |
| N16 | C17 | C18 | C19 | 22.5° | 4.4° |
| O15 | S10 | C11 | C13 | 162.3° | 69.0° |
| O15 | S10 | C11 | C12 | 95.1° | 137.6° |
| O15 | S10 | C11 | H17 | 53.0° | 76.7° |
| S10 | C11 | C13 | C12 | 107.9° | 107.5° |
| S10 | C11 | C13 | H17 | 142.6° | 145.0° |
| S10 | C11 | C12 | H17 | 146.3° | 145.1° |
| S10 | C11 | C13 | H1 | 1.7° | 0.0° |
| S10 | C11 | C13 | H2 | 142.5° | 145.0° |
| S10 | C11 | C12 | H18 | 5.7° | 0.0° |
| S10 | C11 | C12 | H19 | 146.9° | 145.0° |
| C17 | C18 | C21 | C19 | 179.2° | 179.2° |
| C17 | C18 | C21 | C22 | 179.5° | 180.0° |
| C17 | C18 | C19 | C20 | 179.6° | 179.7° |
| C17 | C18 | C21 | H4 | 0.5° | 0.6° |
| C17 | C18 | C19 | H20 | 0.4° | 0.2° |
| C11 | C13 | C12 | H1 | 109.6° | 107.5° |
| C11 | C13 | C12 | H2 | 109.5° | 107.5° |
| C13 | C11 | C12 | H17 | 109.9° | 107.5° |
| C11 | C13 | H1 | H2 | 144.6° | 145.7° |
| C11 | C13 | C12 | H18 | 109.4° | 107.5° |
| C11 | C13 | C12 | H19 | 109.4° | 107.5° |
| C12 | C13 | H1 | H2 | 144.6° | 145.7° |
| C13 | C12 | H18 | H19 | 144.9° | 145.7° |
| C11 | C12 | H18 | H19 | 144.9° | 145.7° |
| C18 | C21 | C22 | H4 | 180.0° | 179.4° |
| C21 | C18 | C19 | C20 | 0.4° | 0.5° |
| C18 | C21 | C22 | C23 | 0.7° | 0.5° |
| C18 | C21 | C22 | H5 | 179.2° | 180.0° |
| C21 | C18 | C19 | H20 | 179.6° | 179.4° |
| C19 | C18 | C21 | C22 | 0.2° | 0.8° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C18 | C19 | C20 | C23 | 0.4° | 0.0° |
| C18 | C19 | C20 | H3 | 179.6° | 179.7° |
| C19 | C18 | C21 | H4 | 179.8° | 179.8° |
| C21 | C22 | C23 | H5 | 180.0° | 179.5° |
| C21 | C22 | C23 | C20 | 1.5° | 0.0° |
| C21 | C22 | C23 | N24 | 179.0° | 180.0° |
| C19 | C20 | C23 | C22 | 1.4° | 0.3° |
| C19 | C20 | C23 | H3 | 180.0° | 179.8° |
| C19 | C20 | C23 | N24 | 178.7° | 179.8° |
| C22 | C23 | C20 | N24 | 177.3° | 179.9° |
| C22 | C23 | N24 | C25 | 155.8° | 41.9° |
| C22 | C23 | C20 | H3 | 178.6° | 180.0° |
| C23 | C22 | C21 | H4 | 179.3° | 179.9° |
| C22 | C23 | N24 | H29 | 24.2° | 138.1° |
| C20 | C23 | N24 | C25 | 26.9° | 138.2° |
| C20 | C23 | C22 | H5 | 178.5° | 179.5° |
| C23 | C20 | C19 | H20 | 179.6° | 180.0° |
| C20 | C23 | N24 | H29 | 153.1° | 41.9° |
| C23 | N24 | C25 | H29 | 180.0° | 180.0° |
| C23 | N24 | C25 | S30 | 1.7° | 4.8° |
| C23 | N24 | C25 | N26 | 179.1° | 175.2° |
| N24 | C23 | C20 | H3 | 1.3° | 0.0° |
| N24 | C23 | C22 | H5 | 1.0° | 0.4° |
| N24 | C25 | S30 | N26 | 179.2° | 179.9° |
| N24 | C25 | N26 | C27 | 179.8° | 179.9° |
| N24 | C25 | N26 | H30 | 0.2° | 0.1° |
| S30 | C25 | N26 | C27 | 0.6° | 0.0° |
| S30 | C25 | N24 | H29 | 178.3° | 175.2° |
| S30 | C25 | N26 | H30 | 179.4° | 180.0° |
| C25 | N26 | C27 | H30 | 180.0° | 180.0° |
| C25 | N26 | C27 | C28 | 175.0° | 180.0° |
| C25 | N26 | C27 | H21 | 64.7° | 60.0° |
| C25 | N26 | C27 | H22 | 54.7° | 60.0° |
| N26 | C25 | N24 | H29 | 0.9° | 4.7° |
| N26 | C27 | C28 | H21 | 120.3° | 120.0° |
| N26 | C27 | C28 | H22 | 120.3° | 120.0° |
| N26 | C27 | C28 | O29 | 61.8° | 65.0° |
| N26 | C27 | C28 | H6 | 58.6° | 175.0° |
| N26 | C27 | C28 | H7 | 177.8° | 55.0° |
| N26 | C27 | H21 | H22 | 119.1° | 120.0° |
| C27 | C28 | O29 | H6 | 120.4° | 120.0° |
| C27 | C28 | O29 | H7 | 120.4° | 120.0° |
| C27 | C28 | H6 | H7 | 118.8° | 120.0° |
| C28 | C27 | H21 | H22 | 119.1° | 120.0° |
| C28 | C27 | N26 | H30 | 5.0° | 0.0° |
| C27 | C28 | O29 | H31 | 180.0° | 180.0° |
| O29 | C28 | H6 | H7 | 118.8° | 120.0° |
| O29 | C28 | C27 | H21 | 177.8° | 175.0° |
| O29 | C28 | C27 | H22 | 58.5° | 55.0° |
| H1 | C13 | C11 | H17 | 140.9° | 145.0° |
| H1 | C13 | C12 | H18 | 0.2° | 0.0° |
| H1 | C13 | C12 | H19 | 141.0° | 145.0° |
| H2 | C13 | C11 | H17 | 0.0° | 0.0° |
| H2 | C13 | C12 | H18 | 141.1° | 145.1° |
| H2 | C13 | C12 | H19 | 0.1° | 0.0° |
| H3 | C20 | C19 | H20 | 0.4° | 0.3° |
| H4 | C21 | C22 | H5 | 0.8° | 0.6° |
| H6 | C28 | C27 | H21 | 61.8° | 54.9° |
| H6 | C28 | C27 | H22 | 178.8° | 65.1° |
| H6 | C28 | O29 | H31 | 59.6° | 60.0° |
| H7 | C28 | C27 | H21 | 57.5° | 65.0° |
| H7 | C28 | C27 | H22 | 61.9° | 175.0° |
| H7 | C28 | O29 | H31 | 59.6° | 60.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 64.2° | 60.0° |
| H9 | C01 | C02 | H11 | 175.8° | 60.1° |
| H10 | C01 | C02 | H11 | 55.8° | 180.0° |
| H11 | C02 | C35 | H27 | 100.5° | 56.9° |
| H11 | C02 | C35 | H28 | 17.5° | 63.1° |
| H13 | C08 | C09 | H15 | 141.0° | 145.0° |
| H13 | C08 | C09 | H16 | 0.1° | 0.0° |
| H14 | C08 | C09 | H15 | 0.1° | 0.0° |
| H14 | C08 | C09 | H16 | 140.9° | 145.0° |
| H17 | C11 | C12 | H18 | 140.7° | 145.1° |
| H17 | C11 | C12 | H19 | 0.6° | 0.1° |
| H21 | C27 | N26 | H30 | 115.3° | 120.0° |
| H22 | C27 | N26 | H30 | 125.3° | 120.0° |
| H23 | C32 | C33 | H25 | 37.5° | 63.2° |
| H23 | C32 | C33 | H26 | 156.8° | 56.8° |
| H24 | C32 | C33 | H25 | 80.8° | 56.9° |
| H24 | C32 | C33 | H26 | 38.6° | 177.0° |
