YKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F36 | C34 | sing | 1.40Å | 1.29Å | |
| O18 | C14 | doub | 1.21Å | 1.21Å | |
| C34 | F35 | sing | 1.40Å | 1.31Å | |
| C34 | C33 | sing | 1.53Å | 1.58Å | |
| C34 | C37 | sing | 1.53Å | 1.58Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C14 | N15 | sing | 1.34Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| C38 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C23 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| C23 | O22 | sing | 1.45Å | 1.43Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| O22 | C02 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | sing | 1.54Å | 1.55Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| N10 | C09 | sing | 1.35Å | 1.39Å | |
| C25 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C04 | C09 | sing | 1.51Å | 1.57Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | O21 | doub | 1.21Å | 1.20Å | |
| C19 | O20 | sing | 1.43Å | 1.39Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| 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 | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| N03 | H38 | sing | 0.97Å | 1.00Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| O20 | H41 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.25Å | |
| S1 | O2 | doub | 1.42Å | 34.25Å | |
| S1 | O3 | sing | 1.52Å | 34.25Å | |
| O3 | H21 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F36 | C34 | F35 | 104.4° | 109.5° |
| F36 | C34 | C33 | 110.1° | 109.5° |
| F36 | C34 | C37 | 111.0° | 109.5° |
| O18 | C14 | N15 | 125.0° | 124.9° |
| O18 | C14 | C13 | 125.1° | 124.9° |
| F35 | C34 | C33 | 111.0° | 109.5° |
| F35 | C34 | C37 | 110.6° | 109.4° |
| C33 | C34 | C37 | 109.7° | 109.5° |
| C34 | C33 | C32 | 111.3° | 109.4° |
| C34 | C33 | H32 | 109.0° | 109.5° |
| C34 | C33 | H33 | 109.0° | 109.5° |
| C34 | C37 | C38 | 113.5° | 109.5° |
| C34 | C37 | H34 | 108.5° | 109.5° |
| C34 | C37 | H35 | 108.4° | 109.5° |
| C33 | C32 | C31 | 110.8° | 109.5° |
| C33 | C32 | H30 | 109.1° | 109.5° |
| C33 | C32 | H31 | 109.1° | 109.5° |
| C32 | C33 | H32 | 109.0° | 109.5° |
| C32 | C33 | H33 | 109.0° | 109.4° |
| C32 | C31 | C38 | 109.1° | 109.5° |
| C32 | C31 | C23 | 114.3° | 109.5° |
| C32 | C31 | H29 | 107.2° | 109.4° |
| C31 | C32 | H30 | 109.2° | 109.4° |
| C31 | C32 | H31 | 109.1° | 109.5° |
| N15 | C14 | C13 | 110.0° | 110.2° |
| C14 | N15 | C16 | 111.2° | 111.3° |
| C14 | N15 | H40 | 124.4° | 124.4° |
| C14 | C13 | C12 | 110.2° | 110.5° |
| C14 | C13 | C17 | 102.1° | 104.2° |
| C14 | C13 | H4 | 111.5° | 110.6° |
| C37 | C38 | C31 | 113.1° | 109.5° |
| C38 | C37 | H34 | 108.4° | 109.4° |
| C38 | C37 | H35 | 108.5° | 109.4° |
| C37 | C38 | H36 | 108.5° | 109.5° |
| C37 | C38 | H37 | 108.6° | 109.5° |
| N15 | C16 | C17 | 105.3° | 105.5° |
| N15 | C16 | H5 | 110.5° | 110.2° |
| N15 | C16 | H6 | 110.5° | 110.3° |
| C16 | N15 | H40 | 124.4° | 124.3° |
| C38 | C31 | C23 | 111.8° | 109.5° |
| C38 | C31 | H29 | 107.3° | 109.4° |
| C31 | C38 | H36 | 108.6° | 109.5° |
| C31 | C38 | H37 | 108.5° | 109.4° |
| C31 | C23 | C24 | 113.1° | 109.5° |
| C31 | C23 | O22 | 106.7° | 109.5° |
| C31 | C23 | H9 | 107.4° | 109.5° |
| C23 | C31 | H29 | 106.7° | 109.5° |
| C24 | C23 | O22 | 112.6° | 109.4° |
| C23 | C24 | C25 | 117.0° | 109.5° |
| C24 | C23 | H9 | 107.4° | 109.4° |
| C23 | C24 | H22 | 107.6° | 109.5° |
| C23 | C24 | H23 | 107.6° | 109.4° |
| C23 | O22 | C02 | 124.5° | 117.0° |
| O22 | C23 | H9 | 109.5° | 109.5° |
| O01 | C02 | O22 | 118.1° | 120.0° |
| O01 | C02 | N03 | 121.2° | 120.0° |
| C24 | C25 | C30 | 120.6° | 120.0° |
| C24 | C25 | C26 | 122.6° | 120.0° |
| C25 | C24 | H22 | 107.6° | 109.5° |
| C25 | C24 | H23 | 107.5° | 109.5° |
| C12 | C13 | C17 | 109.5° | 110.5° |
| C13 | C12 | C11 | 113.2° | 109.5° |
| C13 | C12 | H2 | 108.6° | 109.5° |
| C13 | C12 | H3 | 108.6° | 109.5° |
| C12 | C13 | H4 | 111.7° | 110.4° |
| C13 | C17 | C16 | 104.2° | 101.8° |
| C17 | C13 | H4 | 111.5° | 110.5° |
| C13 | C17 | H7 | 110.8° | 110.9° |
| C13 | C17 | H8 | 110.8° | 111.0° |
| O22 | C02 | N03 | 120.6° | 120.0° |
| C17 | C16 | H5 | 110.5° | 110.3° |
| C17 | C16 | H6 | 110.5° | 110.3° |
| C16 | C17 | H7 | 110.8° | 111.0° |
| C16 | C17 | H8 | 110.8° | 111.0° |
| C02 | N03 | C04 | 123.4° | 120.0° |
| C02 | N03 | H38 | 118.3° | 120.0° |
| C12 | C11 | N10 | 110.2° | 109.4° |
| C12 | C11 | C19 | 111.8° | 109.5° |
| C12 | C11 | H1 | 107.3° | 109.4° |
| C11 | C12 | H2 | 108.5° | 109.5° |
| C11 | C12 | H3 | 108.5° | 109.4° |
| C07 | C06 | C05 | 111.5° | 109.5° |
| C07 | C06 | C08 | 110.1° | 109.5° |
| C07 | C06 | H13 | 108.4° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.5° |
| N03 | C04 | C09 | 109.9° | 109.4° |
| N03 | C04 | C05 | 109.8° | 109.5° |
| N03 | C04 | H10 | 109.9° | 109.5° |
| C04 | N03 | H38 | 118.3° | 120.0° |
| C11 | N10 | C09 | 123.0° | 120.0° |
| N10 | C11 | C19 | 111.5° | 109.5° |
| N10 | C11 | H1 | 108.6° | 109.5° |
| C11 | N10 | H39 | 118.5° | 120.0° |
| N10 | C09 | C04 | 117.9° | 120.0° |
| N10 | C09 | O21 | 121.7° | 120.0° |
| C09 | N10 | H39 | 118.5° | 120.0° |
| C30 | C25 | C26 | 116.9° | 120.0° |
| C25 | C30 | C29 | 122.2° | 120.0° |
| C25 | C30 | H28 | 118.9° | 120.0° |
| C25 | C26 | C27 | 121.4° | 120.0° |
| C25 | C26 | H24 | 119.3° | 119.9° |
| C09 | C04 | C05 | 109.3° | 109.5° |
| C04 | C09 | O21 | 120.5° | 120.0° |
| C09 | C04 | H10 | 108.6° | 109.5° |
| C04 | C05 | C06 | 115.1° | 109.5° |
| C05 | C04 | H10 | 109.4° | 109.5° |
| C04 | C05 | H11 | 108.0° | 109.5° |
| C04 | C05 | H12 | 108.0° | 109.5° |
| C30 | C29 | C28 | 120.0° | 120.0° |
| C30 | C29 | H27 | 120.0° | 120.0° |
| C29 | C30 | H28 | 118.9° | 120.0° |
| C11 | C19 | O20 | 110.5° | 109.5° |
| C19 | C11 | H1 | 107.3° | 109.5° |
| C11 | C19 | H20 | 106.5° | 109.5° |
| C11 | C19 | S1 | 108.6° | 109.5° |
| C05 | C06 | C08 | 110.1° | 109.5° |
| C06 | C05 | H11 | 108.0° | 109.5° |
| C06 | C05 | H12 | 108.0° | 109.5° |
| C05 | C06 | H13 | 108.3° | 109.5° |
| C08 | C06 | H13 | 108.3° | 109.4° |
| C06 | C08 | H17 | 109.5° | 109.4° |
| C06 | C08 | H18 | 109.5° | 109.5° |
| C06 | C08 | H19 | 109.5° | 109.5° |
| O20 | C19 | H20 | 108.5° | 109.5° |
| O20 | C19 | S1 | 108.6° | 109.5° |
| C19 | O20 | H41 | 109.5° | 114.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C27 | C26 | H24 | 119.3° | 120.0° |
| C26 | C27 | H25 | 120.0° | 120.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C29 | C28 | H26 | 120.2° | 120.0° |
| C28 | C29 | H27 | 120.0° | 120.0° |
| C28 | C27 | H25 | 120.0° | 120.0° |
| C27 | C28 | H26 | 120.2° | 120.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 110.2° |
| H7 | C17 | H8 | 109.5° | 110.9° |
| H11 | C05 | H12 | 109.5° | 109.4° |
| H14 | C07 | H15 | 109.4° | 109.5° |
| H14 | C07 | H16 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H17 | C08 | H19 | 109.4° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.4° |
| H20 | C19 | S1 | 114.3° | 109.5° |
| C19 | S1 | O1 | 143.6° | 110.6° |
| C19 | S1 | O2 | 143.6° | 110.6° |
| C19 | S1 | O3 | 143.6° | 104.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.4° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H36 | C38 | H37 | 109.4° | 109.5° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H21 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F36 | C34 | F35 | C33 | 118.5° | 120.0° |
| F36 | C34 | F35 | C37 | 119.5° | 120.0° |
| F36 | C34 | C33 | C37 | 122.4° | 120.0° |
| F36 | C34 | C33 | C32 | 68.7° | 60.0° |
| F36 | C34 | C37 | C38 | 72.5° | 60.0° |
| F36 | C34 | C33 | H32 | 171.0° | 59.9° |
| F36 | C34 | C33 | H33 | 51.6° | 180.0° |
| F36 | C34 | C37 | H34 | 48.1° | 60.0° |
| F36 | C34 | C37 | H35 | 166.9° | 180.0° |
| O18 | C14 | N15 | C13 | 179.6° | 179.9° |
| O18 | C14 | N15 | C16 | 179.5° | 179.5° |
| O18 | C14 | C13 | C12 | 47.8° | 45.1° |
| O18 | C14 | C13 | C17 | 164.1° | 163.8° |
| O18 | C14 | C13 | H4 | 76.8° | 77.5° |
| O18 | C14 | N15 | H40 | 0.5° | 0.5° |
| F35 | C34 | C33 | C37 | 122.5° | 120.0° |
| F35 | C34 | C33 | C32 | 176.2° | 180.0° |
| F35 | C34 | C37 | C38 | 172.2° | 180.0° |
| F35 | C34 | C33 | H32 | 56.0° | 60.0° |
| F35 | C34 | C33 | H33 | 63.5° | 60.0° |
| F35 | C34 | C37 | H34 | 67.2° | 60.0° |
| F35 | C34 | C37 | H35 | 51.5° | 60.0° |
| C34 | C33 | C32 | H32 | 120.2° | 120.0° |
| C34 | C33 | C32 | H33 | 120.3° | 120.0° |
| C34 | C33 | C32 | C31 | 60.4° | 60.0° |
| C33 | C34 | C37 | C38 | 49.4° | 60.0° |
| C34 | C33 | C32 | H30 | 179.3° | 60.0° |
| C34 | C33 | C32 | H31 | 59.8° | 180.0° |
| C34 | C33 | H32 | H33 | 119.2° | 120.0° |
| C33 | C34 | C37 | H34 | 170.0° | 180.0° |
| C33 | C34 | C37 | H35 | 71.3° | 60.0° |
| C37 | C34 | C33 | C32 | 53.7° | 60.0° |
| C34 | C37 | C38 | H34 | 120.6° | 120.0° |
| C34 | C37 | C38 | H35 | 120.6° | 120.0° |
| C34 | C37 | C38 | C31 | 51.7° | 60.0° |
| C37 | C34 | C33 | H32 | 66.5° | 180.0° |
| C37 | C34 | C33 | H33 | 174.0° | 60.0° |
| C34 | C37 | H34 | H35 | 118.1° | 120.0° |
| C34 | C37 | C38 | H36 | 68.8° | 180.0° |
| C34 | C37 | C38 | H37 | 172.3° | 60.0° |
| C33 | C32 | C31 | H30 | 120.2° | 120.0° |
| C33 | C32 | C31 | H31 | 120.2° | 120.1° |
| C33 | C32 | C31 | C38 | 59.8° | 59.9° |
| C33 | C32 | C31 | C23 | 174.2° | 180.0° |
| C33 | C32 | C31 | H29 | 56.1° | 59.9° |
| C33 | C32 | H30 | H31 | 119.4° | 120.0° |
| C32 | C33 | H32 | H33 | 119.2° | 120.0° |
| C32 | C31 | C38 | C37 | 55.4° | 59.9° |
| C32 | C31 | C38 | C23 | 127.4° | 120.0° |
| C32 | C31 | C38 | H29 | 115.9° | 119.9° |
| C32 | C31 | C23 | H29 | 118.3° | 120.0° |
| C32 | C31 | C23 | C24 | 69.6° | 174.3° |
| C32 | C31 | C23 | O22 | 166.0° | 65.7° |
| C32 | C31 | C23 | H9 | 48.7° | 54.3° |
| C31 | C32 | H30 | H31 | 119.4° | 120.0° |
| C31 | C32 | C33 | H32 | 59.8° | 179.9° |
| C31 | C32 | C33 | H33 | 179.3° | 60.0° |
| C32 | C31 | C38 | H36 | 65.1° | 180.0° |
| C32 | C31 | C38 | H37 | 176.0° | 60.1° |
| C14 | N15 | C16 | H40 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 132.6° | 134.9° |
| N15 | C14 | C13 | C17 | 16.3° | 16.3° |
| C14 | N15 | C16 | C17 | 16.7° | 17.0° |
| N15 | C14 | C13 | H4 | 102.8° | 102.5° |
| C14 | N15 | C16 | H5 | 102.6° | 136.0° |
| C14 | N15 | C16 | H6 | 136.0° | 102.1° |
| C13 | C14 | N15 | C16 | 0.1° | 0.4° |
| C14 | C13 | C12 | C17 | 111.5° | 114.7° |
| C14 | C13 | C12 | H4 | 124.5° | 122.7° |
| C14 | C13 | C17 | H4 | 119.1° | 118.8° |
| C14 | C13 | C17 | C16 | 25.1° | 24.8° |
| C14 | C13 | C12 | C11 | 177.2° | 179.9° |
| C14 | C13 | C12 | H2 | 62.2° | 60.1° |
| C14 | C13 | C12 | H3 | 56.7° | 59.9° |
| C14 | C13 | C17 | H7 | 94.1° | 93.3° |
| C14 | C13 | C17 | H8 | 144.2° | 143.0° |
| C13 | C14 | N15 | H40 | 179.9° | 179.6° |
| C37 | C38 | C31 | H36 | 120.6° | 120.1° |
| C37 | C38 | C31 | H37 | 120.6° | 120.0° |
| C37 | C38 | C31 | C23 | 177.2° | 180.0° |
| C37 | C38 | C31 | H29 | 60.4° | 60.0° |
| C38 | C37 | H34 | H35 | 118.2° | 119.9° |
| C37 | C38 | H36 | H37 | 118.3° | 120.0° |
| N15 | C16 | C17 | C13 | 26.2° | 25.4° |
| N15 | C16 | C17 | H5 | 119.4° | 119.0° |
| N15 | C16 | C17 | H6 | 119.3° | 119.1° |
| N15 | C16 | H5 | H6 | 121.9° | 122.0° |
| N15 | C16 | C17 | H7 | 93.0° | 92.7° |
| N15 | C16 | C17 | H8 | 145.3° | 143.6° |
| C38 | C31 | C23 | H29 | 117.1° | 120.0° |
| C38 | C31 | C23 | C24 | 165.8° | 65.7° |
| C38 | C31 | C23 | O22 | 41.4° | 54.3° |
| C38 | C31 | C23 | H9 | 75.9° | 174.3° |
| C38 | C31 | C32 | H30 | 180.0° | 60.0° |
| C38 | C31 | C32 | H31 | 60.4° | 180.0° |
| C31 | C38 | C37 | H34 | 172.3° | 180.0° |
| C31 | C38 | C37 | H35 | 68.9° | 60.0° |
| C31 | C38 | H36 | H37 | 118.3° | 119.9° |
| C31 | C23 | C24 | O22 | 121.0° | 120.0° |
| C31 | C23 | C24 | H9 | 118.3° | 120.0° |
| C31 | C23 | O22 | H9 | 115.9° | 120.0° |
| C31 | C23 | C24 | C25 | 61.1° | 175.0° |
| C31 | C23 | O22 | C02 | 166.9° | 99.7° |
| C31 | C23 | C24 | H22 | 60.0° | 65.0° |
| C31 | C23 | C24 | H23 | 177.9° | 55.0° |
| C23 | C31 | C32 | H30 | 54.0° | 60.0° |
| C23 | C31 | C32 | H31 | 65.6° | 60.0° |
| C23 | C31 | C38 | H36 | 62.3° | 60.0° |
| C23 | C31 | C38 | H37 | 56.6° | 60.0° |
| C24 | C23 | O22 | H9 | 119.5° | 120.0° |
| C23 | C24 | C25 | H22 | 121.1° | 120.0° |
| C23 | C24 | C25 | H23 | 121.1° | 120.0° |
| C24 | C23 | O22 | C02 | 68.5° | 140.3° |
| C23 | C24 | C25 | C30 | 97.0° | 90.0° |
| C23 | C24 | C25 | C26 | 82.0° | 89.7° |
| C23 | C24 | H22 | H23 | 116.6° | 120.0° |
| C24 | C23 | C31 | H29 | 48.7° | 54.3° |
| C23 | O22 | C02 | O01 | 12.5° | 4.4° |
| O22 | C23 | C24 | C25 | 59.9° | 65.0° |
| C23 | O22 | C02 | N03 | 167.8° | 175.6° |
| O22 | C23 | C24 | H22 | 179.0° | 55.0° |
| O22 | C23 | C24 | H23 | 61.1° | 175.0° |
| O22 | C23 | C31 | H29 | 75.6° | 174.3° |
| O01 | C02 | O22 | N03 | 179.7° | 180.0° |
| O01 | C02 | N03 | C04 | 7.9° | 4.5° |
| O01 | C02 | N03 | H38 | 172.0° | 175.6° |
| C24 | C25 | C30 | C26 | 179.1° | 179.7° |
| C24 | C25 | C30 | C29 | 179.6° | 179.8° |
| C24 | C25 | C26 | C27 | 179.6° | 180.0° |
| C25 | C24 | C23 | H9 | 179.4° | 55.0° |
| C25 | C24 | H22 | H23 | 116.6° | 120.0° |
| C24 | C25 | C26 | H24 | 0.4° | 0.0° |
| C24 | C25 | C30 | H28 | 0.4° | 0.0° |
| C12 | C13 | C17 | H4 | 124.1° | 122.5° |
| C12 | C13 | C17 | C16 | 141.9° | 143.5° |
| C13 | C12 | C11 | H2 | 120.6° | 120.0° |
| C13 | C12 | C11 | H3 | 120.6° | 120.0° |
| C13 | C12 | C11 | N10 | 59.6° | 62.0° |
| C13 | C12 | C11 | C19 | 175.8° | 178.0° |
| C13 | C12 | C11 | H1 | 58.4° | 58.0° |
| C13 | C12 | H2 | H3 | 118.3° | 120.0° |
| C12 | C13 | C17 | H7 | 22.7° | 25.3° |
| C12 | C13 | C17 | H8 | 99.0° | 98.4° |
| C13 | C17 | C16 | H7 | 119.2° | 118.1° |
| C13 | C17 | C16 | H8 | 119.1° | 118.1° |
| C17 | C13 | C12 | C11 | 71.3° | 65.2° |
| C17 | C13 | C12 | H2 | 49.3° | 174.8° |
| C17 | C13 | C12 | H3 | 168.2° | 54.8° |
| C13 | C17 | C16 | H5 | 93.2° | 144.4° |
| C13 | C17 | C16 | H6 | 145.5° | 93.7° |
| C13 | C17 | H7 | H8 | 122.5° | 123.8° |
| O22 | C02 | N03 | C04 | 172.3° | 175.6° |
| C02 | O22 | C23 | H9 | 51.0° | 20.3° |
| O22 | C02 | N03 | H38 | 7.7° | 4.4° |
| C16 | C17 | C13 | H4 | 94.0° | 94.0° |
| C17 | C16 | H5 | H6 | 121.9° | 121.9° |
| C16 | C17 | H7 | H8 | 122.4° | 123.8° |
| C17 | C16 | N15 | H40 | 163.3° | 163.0° |
| C02 | N03 | C04 | H38 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 64.9° | 138.3° |
| C02 | N03 | C04 | C05 | 174.9° | 101.7° |
| C02 | N03 | C04 | H10 | 54.5° | 18.3° |
| C12 | C11 | N10 | C19 | 124.7° | 120.0° |
| C12 | C11 | N10 | H1 | 117.3° | 119.9° |
| C12 | C11 | N10 | C09 | 128.7° | 149.5° |
| C12 | C11 | C19 | H1 | 117.4° | 120.0° |
| C12 | C11 | C19 | O20 | 60.8° | 176.3° |
| C11 | C12 | H2 | H3 | 118.3° | 119.9° |
| C11 | C12 | C13 | H4 | 52.7° | 57.4° |
| C12 | C11 | C19 | H20 | 178.4° | 56.3° |
| C12 | C11 | C19 | S1 | 58.1° | 63.7° |
| C12 | C11 | N10 | H39 | 51.3° | 30.5° |
| C07 | C06 | C05 | C04 | 61.4° | 174.4° |
| C07 | C06 | C05 | C08 | 122.5° | 120.1° |
| C07 | C06 | C05 | H13 | 119.2° | 120.0° |
| C07 | C06 | C08 | H13 | 118.4° | 120.0° |
| C07 | C06 | C05 | H11 | 177.7° | 54.4° |
| C07 | C06 | C05 | H12 | 59.4° | 65.6° |
| C06 | C07 | H14 | H15 | 120.0° | 120.0° |
| C06 | C07 | H14 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C07 | C06 | C08 | H17 | 180.0° | 60.0° |
| C07 | C06 | C08 | H18 | 60.0° | 180.0° |
| C07 | C06 | C08 | H19 | 60.0° | 60.0° |
| N03 | C04 | C09 | N10 | 122.4° | 180.0° |
| N03 | C04 | C09 | C05 | 120.6° | 120.0° |
| N03 | C04 | C09 | H10 | 120.2° | 120.0° |
| N03 | C04 | C05 | H10 | 120.6° | 120.0° |
| N03 | C04 | C05 | C06 | 65.4° | 65.4° |
| N03 | C04 | C09 | O21 | 57.1° | 0.0° |
| N03 | C04 | C05 | H11 | 55.4° | 54.7° |
| N03 | C04 | C05 | H12 | 173.8° | 174.7° |
| C11 | N10 | C09 | H39 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 179.9° | 180.0° |
| N10 | C11 | C19 | H1 | 118.8° | 120.0° |
| C11 | N10 | C09 | O21 | 0.4° | 0.0° |
| N10 | C11 | C19 | O20 | 175.3° | 56.3° |
| N10 | C11 | C12 | H2 | 179.8° | 58.1° |
| N10 | C11 | C12 | H3 | 60.9° | 178.0° |
| N10 | C11 | C19 | H20 | 57.8° | 63.6° |
| N10 | C11 | C19 | S1 | 65.7° | 176.4° |
| N10 | C09 | C04 | O21 | 179.5° | 180.0° |
| N10 | C09 | C04 | C05 | 117.0° | 60.0° |
| C09 | N10 | C11 | C19 | 106.6° | 90.5° |
| C09 | N10 | C11 | H1 | 11.4° | 29.6° |
| N10 | C09 | C04 | H10 | 2.2° | 60.0° |
| C25 | C30 | C29 | H28 | 180.0° | 179.8° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C25 | C30 | C29 | C28 | 0.4° | 0.5° |
| C30 | C25 | C24 | H22 | 24.1° | 30.0° |
| C30 | C25 | C24 | H23 | 141.9° | 150.0° |
| C30 | C25 | C26 | H24 | 179.4° | 179.7° |
| C25 | C30 | C29 | H27 | 179.6° | 179.7° |
| C26 | C25 | C30 | C29 | 0.5° | 0.5° |
| C25 | C26 | C27 | H24 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C24 | H22 | 156.9° | 150.3° |
| C26 | C25 | C24 | H23 | 39.1° | 30.2° |
| C25 | C26 | C27 | H25 | 179.6° | 180.0° |
| C26 | C25 | C30 | H28 | 179.4° | 179.7° |
| C09 | C04 | C05 | H10 | 118.8° | 120.0° |
| C09 | C04 | C05 | C06 | 174.0° | 174.7° |
| C09 | C04 | C05 | H11 | 65.2° | 65.3° |
| C09 | C04 | C05 | H12 | 53.2° | 54.7° |
| C09 | C04 | N03 | H38 | 115.1° | 41.8° |
| C04 | C09 | N10 | H39 | 0.0° | 0.0° |
| C04 | C05 | C06 | H11 | 120.8° | 120.1° |
| C04 | C05 | C06 | H12 | 120.8° | 120.0° |
| C04 | C05 | C06 | C08 | 176.1° | 65.5° |
| C05 | C04 | C09 | O21 | 63.5° | 120.0° |
| C04 | C05 | H11 | H12 | 117.4° | 120.0° |
| C04 | C05 | C06 | H13 | 57.8° | 54.4° |
| C05 | C04 | N03 | H38 | 5.1° | 78.2° |
| C30 | C29 | C28 | H27 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.2° | 0.3° |
| C30 | C29 | C28 | H26 | 179.8° | 179.8° |
| C11 | C19 | O20 | H20 | 116.4° | 120.0° |
| C11 | C19 | O20 | S1 | 119.0° | 120.0° |
| C19 | C11 | C12 | H2 | 55.2° | 62.0° |
| C19 | C11 | C12 | H3 | 63.6° | 58.0° |
| C11 | C19 | H20 | S1 | 119.8° | 120.0° |
| C19 | C11 | N10 | H39 | 73.4° | 89.5° |
| C11 | C19 | O20 | H41 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 74.2° | 179.2° |
| C11 | C19 | S1 | O2 | 74.2° | 44.1° |
| C11 | C19 | S1 | O3 | 74.2° | 67.5° |
| C05 | C06 | C08 | H13 | 118.3° | 120.0° |
| C06 | C05 | C04 | H10 | 55.2° | 54.7° |
| C06 | C05 | H11 | H12 | 117.4° | 120.0° |
| C05 | C06 | C07 | H14 | 180.0° | 60.0° |
| C05 | C06 | C07 | H15 | 60.0° | 180.0° |
| C05 | C06 | C07 | H16 | 60.0° | 60.0° |
| C05 | C06 | C08 | H17 | 56.7° | 60.1° |
| C05 | C06 | C08 | H18 | 63.3° | 59.9° |
| C05 | C06 | C08 | H19 | 176.6° | 179.9° |
| C08 | C06 | C05 | H11 | 55.3° | 174.4° |
| C08 | C06 | C05 | H12 | 63.1° | 54.5° |
| C08 | C06 | C07 | H14 | 57.5° | 60.0° |
| C08 | C06 | C07 | H15 | 62.5° | 60.0° |
| C08 | C06 | C07 | H16 | 177.5° | 180.0° |
| C06 | C08 | H17 | H18 | 120.0° | 120.1° |
| C06 | C08 | H17 | H19 | 120.0° | 120.0° |
| C06 | C08 | H18 | H19 | 120.0° | 120.0° |
| O21 | C09 | C04 | H10 | 177.2° | 120.0° |
| O21 | C09 | N10 | H39 | 179.5° | 180.0° |
| O20 | C19 | C11 | H1 | 56.6° | 63.7° |
| O20 | C19 | H20 | S1 | 121.3° | 120.0° |
| O20 | C19 | S1 | O1 | 45.9° | 60.9° |
| O20 | C19 | S1 | O2 | 45.9° | 75.9° |
| O20 | C19 | S1 | O3 | 45.9° | 172.5° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C26 | C27 | C28 | H26 | 179.8° | 179.9° |
| C29 | C28 | C27 | H26 | 180.0° | 179.9° |
| C29 | C28 | C27 | H25 | 179.8° | 180.0° |
| C28 | C29 | C30 | H28 | 179.6° | 179.7° |
| C28 | C27 | C26 | H24 | 179.6° | 180.0° |
| C27 | C28 | C29 | H27 | 179.8° | 179.9° |
| H1 | C11 | C12 | H2 | 62.1° | 178.0° |
| H1 | C11 | C12 | H3 | 179.0° | 62.0° |
| H1 | C11 | C19 | H20 | 61.0° | 176.3° |
| H1 | C11 | C19 | S1 | 175.5° | 56.3° |
| H1 | C11 | N10 | H39 | 168.6° | 150.4° |
| H2 | C12 | C13 | H4 | 173.2° | 62.6° |
| H3 | C12 | C13 | H4 | 67.9° | 177.4° |
| H4 | C13 | C17 | H7 | 146.8° | 147.8° |
| H4 | C13 | C17 | H8 | 25.1° | 24.1° |
| H5 | C16 | C17 | H7 | 147.7° | 26.3° |
| H5 | C16 | C17 | H8 | 26.0° | 97.4° |
| H5 | C16 | N15 | H40 | 77.4° | 44.0° |
| H6 | C16 | C17 | H7 | 26.3° | 148.2° |
| H6 | C16 | C17 | H8 | 95.3° | 24.5° |
| H6 | C16 | N15 | H40 | 44.0° | 77.9° |
| H9 | C23 | C24 | H22 | 58.3° | 175.0° |
| H9 | C23 | C24 | H23 | 59.5° | 65.0° |
| H9 | C23 | C31 | H29 | 167.0° | 65.7° |
| H10 | C04 | C05 | H11 | 176.0° | 174.7° |
| H10 | C04 | C05 | H12 | 65.6° | 65.3° |
| H10 | C04 | N03 | H38 | 125.5° | 161.8° |
| H11 | C05 | C06 | H13 | 63.0° | 65.6° |
| H12 | C05 | C06 | H13 | 178.6° | 174.4° |
| H13 | C06 | C07 | H14 | 60.8° | 180.0° |
| H13 | C06 | C07 | H15 | 179.2° | 60.0° |
| H13 | C06 | C07 | H16 | 59.2° | 60.0° |
| H13 | C06 | C08 | H17 | 61.6° | 180.0° |
| H13 | C06 | C08 | H18 | 178.4° | 60.0° |
| H13 | C06 | C08 | H19 | 58.3° | 60.0° |
| H14 | C07 | H15 | H16 | 120.0° | 120.0° |
| H17 | C08 | H18 | H19 | 119.9° | 120.0° |
| H20 | C19 | O20 | H41 | 63.6° | 60.0° |
| H20 | C19 | S1 | O1 | 167.1° | 59.2° |
| H20 | C19 | S1 | O2 | 167.1° | 164.1° |
| H20 | C19 | S1 | O3 | 167.1° | 52.5° |
| S1 | C19 | O20 | H41 | 61.1° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.8° |
| C19 | S1 | O2 | O3 | 90.0° | 111.8° |
| C19 | S1 | O3 | H21 | 90.0° | 180.0° |
| H24 | C26 | C27 | H25 | 0.4° | 0.0° |
| H25 | C27 | C28 | H26 | 0.2° | 0.1° |
| H26 | C28 | C29 | H27 | 0.2° | 0.0° |
| H27 | C29 | C30 | H28 | 0.4° | 0.1° |
| H29 | C31 | C32 | H30 | 64.1° | 179.9° |
| H29 | C31 | C32 | H31 | 176.3° | 60.1° |
| H29 | C31 | C38 | H36 | 179.0° | 60.1° |
| H29 | C31 | C38 | H37 | 60.1° | 180.0° |
| H30 | C32 | C33 | H32 | 60.4° | 60.0° |
| H30 | C32 | C33 | H33 | 59.0° | 180.0° |
| H31 | C32 | C33 | H32 | 180.0° | 60.0° |
| H31 | C32 | C33 | H33 | 60.5° | 60.1° |
| H34 | C37 | C38 | H36 | 51.8° | 60.0° |
| H34 | C37 | C38 | H37 | 67.1° | 60.1° |
| H35 | C37 | C38 | H36 | 170.6° | 60.0° |
| H35 | C37 | C38 | H37 | 51.7° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H21 | 90.0° | 63.9° |
| O2 | S1 | O3 | H21 | 90.0° | 63.9° |
