Y4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | C33 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C33 | C31 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C29 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C32 | sing | 1.53Å | 1.58Å | |
| C24 | C23 | sing | 1.53Å | 1.59Å | |
| C23 | O22 | sing | 1.45Å | 1.45Å | |
| O22 | C02 | sing | 1.35Å | 1.38Å | |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| C02 | O01 | doub | 1.22Å | 1.25Å | |
| C16 | C17 | sing | 1.54Å | 1.48Å | |
| C16 | N15 | sing | 1.47Å | 1.50Å | |
| N03 | C04 | sing | 1.47Å | 1.47Å | |
| O21 | C09 | doub | 1.21Å | 1.27Å | |
| C17 | C13 | sing | 1.55Å | 1.55Å | |
| N15 | C14 | sing | 1.34Å | 1.40Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| C09 | N10 | sing | 1.35Å | 1.38Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.26Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | C19 | sing | 1.53Å | 1.58Å | |
| C19 | O20 | sing | 1.43Å | 1.45Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | 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 | O2 | doub | 1.42Å | 20.14Å | |
| S1 | O3 | sing | 1.52Å | 20.14Å | |
| S1 | O1 | doub | 1.42Å | 20.14Å | |
| O3 | H20 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 112.0° | 109.5° |
| C27 | C26 | C33 | 107.3° | 109.4° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | H25 | 110.5° | 109.4° |
| C26 | C27 | H26 | 108.9° | 109.4° |
| C26 | C27 | H27 | 108.8° | 109.5° |
| C27 | C28 | C30 | 109.2° | 109.5° |
| C27 | C28 | C29 | 110.9° | 109.5° |
| C28 | C27 | H26 | 108.8° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C27 | C28 | H28 | 110.1° | 109.4° |
| C33 | C26 | C25 | 108.2° | 109.5° |
| C26 | C33 | C31 | 110.9° | 109.5° |
| C33 | C26 | H25 | 110.1° | 109.5° |
| C26 | C33 | H36 | 109.1° | 109.5° |
| C26 | C33 | H37 | 109.1° | 109.4° |
| C26 | C25 | C24 | 111.3° | 109.5° |
| C26 | C25 | H23 | 109.0° | 109.5° |
| C26 | C25 | H24 | 109.0° | 109.5° |
| C25 | C26 | H25 | 110.3° | 109.5° |
| C33 | C31 | C30 | 109.6° | 109.5° |
| C33 | C31 | C32 | 108.0° | 109.5° |
| C33 | C31 | H33 | 110.8° | 109.5° |
| C31 | C33 | H36 | 109.1° | 109.5° |
| C31 | C33 | H37 | 109.1° | 109.5° |
| C30 | C28 | C29 | 106.2° | 109.5° |
| C28 | C30 | C31 | 111.0° | 109.5° |
| C30 | C28 | H28 | 110.1° | 109.5° |
| C28 | C30 | H31 | 109.1° | 109.4° |
| C28 | C30 | H32 | 109.1° | 109.5° |
| C28 | C29 | C24 | 110.5° | 109.5° |
| C29 | C28 | H28 | 110.3° | 109.5° |
| C28 | C29 | H29 | 109.2° | 109.5° |
| C28 | C29 | H30 | 109.2° | 109.5° |
| C30 | C31 | C32 | 106.8° | 109.5° |
| C31 | C30 | H31 | 109.1° | 109.5° |
| C31 | C30 | H32 | 109.1° | 109.5° |
| C30 | C31 | H33 | 110.7° | 109.5° |
| C31 | C32 | C24 | 110.9° | 109.5° |
| C32 | C31 | H33 | 110.7° | 109.5° |
| C31 | C32 | H34 | 109.1° | 109.4° |
| C31 | C32 | H35 | 109.1° | 109.5° |
| C25 | C24 | C29 | 113.8° | 109.5° |
| C25 | C24 | C32 | 105.3° | 109.5° |
| C25 | C24 | C23 | 109.2° | 109.4° |
| C24 | C25 | H23 | 109.0° | 109.5° |
| C24 | C25 | H24 | 109.0° | 109.5° |
| C29 | C24 | C32 | 107.5° | 109.5° |
| C29 | C24 | C23 | 111.7° | 109.5° |
| C24 | C29 | H29 | 109.2° | 109.5° |
| C24 | C29 | H30 | 109.2° | 109.5° |
| C32 | C24 | C23 | 109.0° | 109.5° |
| C24 | C32 | H34 | 109.1° | 109.4° |
| C24 | C32 | H35 | 109.1° | 109.5° |
| C24 | C23 | O22 | 105.6° | 109.5° |
| C24 | C23 | H21 | 110.4° | 109.5° |
| C24 | C23 | H22 | 110.4° | 109.5° |
| C23 | O22 | C02 | 117.9° | 117.0° |
| O22 | C23 | H21 | 110.4° | 109.5° |
| O22 | C23 | H22 | 110.4° | 109.5° |
| O22 | C02 | N03 | 121.3° | 120.0° |
| O22 | C02 | O01 | 117.6° | 119.9° |
| N03 | C02 | O01 | 121.1° | 120.0° |
| C02 | N03 | C04 | 120.2° | 120.0° |
| C02 | N03 | H38 | 119.9° | 120.0° |
| C17 | C16 | N15 | 110.3° | 105.5° |
| C16 | C17 | C13 | 104.2° | 101.7° |
| C17 | C16 | H15 | 109.3° | 110.2° |
| C17 | C16 | H16 | 109.3° | 110.3° |
| C16 | C17 | H17 | 110.8° | 111.0° |
| C16 | C17 | H18 | 110.7° | 111.0° |
| C16 | N15 | C14 | 105.6° | 111.3° |
| N15 | C16 | H15 | 109.3° | 110.2° |
| N15 | C16 | H16 | 109.3° | 110.2° |
| C16 | N15 | H40 | 127.2° | 124.3° |
| N03 | C04 | C09 | 112.0° | 109.5° |
| N03 | C04 | C05 | 109.3° | 109.5° |
| N03 | C04 | H1 | 109.3° | 109.4° |
| C04 | N03 | H38 | 119.9° | 119.9° |
| O21 | C09 | C04 | 120.0° | 120.0° |
| O21 | C09 | N10 | 119.5° | 120.0° |
| C17 | C13 | C14 | 103.3° | 104.2° |
| C17 | C13 | C12 | 110.4° | 110.5° |
| C17 | C13 | H14 | 110.4° | 110.6° |
| C13 | C17 | H17 | 110.8° | 111.0° |
| C13 | C17 | H18 | 110.8° | 110.9° |
| N15 | C14 | C13 | 112.5° | 110.1° |
| N15 | C14 | O18 | 120.0° | 125.0° |
| C14 | N15 | H40 | 127.2° | 124.4° |
| C09 | C04 | C05 | 109.7° | 109.5° |
| C04 | C09 | N10 | 120.6° | 120.0° |
| C09 | C04 | H1 | 108.4° | 109.4° |
| C04 | C05 | C06 | 112.1° | 109.5° |
| C05 | C04 | H1 | 107.9° | 109.5° |
| C04 | C05 | H2 | 108.8° | 109.5° |
| C04 | C05 | H3 | 108.8° | 109.5° |
| C09 | N10 | C11 | 124.8° | 120.0° |
| C09 | N10 | H39 | 117.6° | 120.0° |
| C14 | C13 | C12 | 111.2° | 110.5° |
| C13 | C14 | O18 | 127.5° | 124.9° |
| C14 | C13 | H14 | 110.7° | 110.5° |
| C13 | C12 | C11 | 110.1° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.4° |
| C13 | C12 | H13 | 109.3° | 109.5° |
| C12 | C13 | H14 | 110.6° | 110.4° |
| C05 | C06 | C08 | 111.6° | 109.5° |
| C05 | C06 | C07 | 111.6° | 109.5° |
| C06 | C05 | H2 | 108.8° | 109.5° |
| C06 | C05 | H3 | 108.8° | 109.5° |
| C05 | C06 | H4 | 107.6° | 109.5° |
| C08 | C06 | C07 | 110.2° | 109.5° |
| C08 | C06 | H4 | 107.8° | 109.4° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.4° |
| C07 | C06 | H4 | 107.9° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| N10 | C11 | C12 | 107.1° | 109.4° |
| N10 | C11 | C19 | 107.5° | 109.5° |
| N10 | C11 | H11 | 111.5° | 109.5° |
| C11 | N10 | H39 | 117.6° | 120.0° |
| C12 | C11 | C19 | 110.9° | 109.5° |
| C12 | C11 | H11 | 109.8° | 109.5° |
| C11 | C12 | H12 | 109.3° | 109.5° |
| C11 | C12 | H13 | 109.3° | 109.5° |
| C11 | C19 | O20 | 108.3° | 109.5° |
| C19 | C11 | H11 | 109.9° | 109.5° |
| C11 | C19 | H19 | 106.5° | 109.5° |
| C11 | C19 | S1 | 109.8° | 109.4° |
| O20 | C19 | H19 | 108.1° | 109.5° |
| O20 | C19 | S1 | 109.8° | 109.5° |
| C19 | O20 | H41 | 109.5° | 114.0° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.4° | 110.3° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H19 | C19 | S1 | 114.2° | 109.5° |
| C19 | S1 | O2 | 45.6° | 110.5° |
| C19 | S1 | O3 | 45.6° | 104.4° |
| C19 | S1 | O1 | 45.6° | 110.6° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.4° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.4° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.4° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O1 | 0.0° | 121.0° |
| O3 | S1 | O1 | 0.0° | 104.3° |
| S1 | O3 | H20 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H26 | 120.4° | 120.0° |
| C26 | C27 | C28 | H27 | 120.4° | 120.1° |
| C27 | C26 | C33 | C25 | 119.1° | 120.0° |
| C27 | C26 | C33 | H25 | 120.3° | 119.9° |
| C27 | C26 | C25 | H25 | 122.3° | 120.0° |
| C27 | C26 | C33 | C31 | 60.5° | 60.0° |
| C26 | C27 | C28 | C30 | 59.8° | 60.0° |
| C26 | C27 | C28 | C29 | 56.8° | 60.0° |
| C27 | C26 | C25 | C24 | 53.9° | 60.0° |
| C27 | C26 | C25 | H23 | 174.2° | 60.0° |
| C27 | C26 | C25 | H24 | 66.3° | 180.0° |
| C26 | C27 | H26 | H27 | 118.8° | 120.0° |
| C26 | C27 | C28 | H28 | 179.2° | 180.0° |
| C27 | C26 | C33 | H36 | 59.7° | 60.0° |
| C27 | C26 | C33 | H37 | 179.3° | 179.9° |
| C28 | C27 | C26 | C33 | 61.5° | 60.0° |
| C28 | C27 | C26 | C25 | 56.3° | 60.0° |
| C27 | C28 | C30 | C29 | 119.6° | 120.0° |
| C27 | C28 | C30 | H28 | 121.0° | 120.0° |
| C27 | C28 | C29 | H28 | 122.3° | 120.0° |
| C27 | C28 | C30 | C31 | 55.8° | 60.0° |
| C27 | C28 | C29 | C24 | 53.8° | 60.0° |
| C28 | C27 | C26 | H25 | 178.5° | 180.0° |
| C28 | C27 | H26 | H27 | 118.8° | 120.0° |
| C27 | C28 | C29 | H29 | 66.3° | 180.0° |
| C27 | C28 | C29 | H30 | 174.0° | 60.0° |
| C27 | C28 | C30 | H31 | 176.0° | 180.0° |
| C27 | C28 | C30 | H32 | 64.5° | 60.0° |
| C33 | C26 | C25 | H25 | 120.5° | 120.0° |
| C26 | C33 | C31 | H36 | 120.2° | 120.0° |
| C26 | C33 | C31 | H37 | 120.2° | 120.0° |
| C26 | C33 | C31 | C30 | 58.5° | 60.0° |
| C26 | C33 | C31 | C32 | 57.5° | 60.0° |
| C33 | C26 | C25 | C24 | 63.2° | 60.0° |
| C33 | C26 | C25 | H23 | 57.0° | 180.0° |
| C33 | C26 | C25 | H24 | 176.5° | 60.0° |
| C33 | C26 | C27 | H26 | 178.2° | 180.0° |
| C33 | C26 | C27 | H27 | 58.9° | 60.0° |
| C26 | C33 | C31 | H33 | 178.9° | 180.0° |
| C26 | C33 | H36 | H37 | 119.4° | 119.9° |
| C25 | C26 | C33 | C31 | 58.6° | 60.0° |
| C26 | C25 | C24 | H23 | 120.3° | 120.0° |
| C26 | C25 | C24 | H24 | 120.3° | 120.0° |
| C26 | C25 | C24 | C29 | 53.7° | 60.0° |
| C26 | C25 | C24 | C32 | 63.7° | 60.0° |
| C26 | C25 | C24 | C23 | 179.3° | 180.0° |
| C26 | C25 | H23 | H24 | 119.2° | 120.0° |
| C25 | C26 | C27 | H26 | 64.1° | 60.0° |
| C25 | C26 | C27 | H27 | 176.6° | 180.0° |
| C25 | C26 | C33 | H36 | 178.8° | 180.0° |
| C25 | C26 | C33 | H37 | 61.6° | 60.0° |
| C33 | C31 | C30 | C28 | 55.8° | 60.0° |
| C33 | C31 | C30 | C32 | 116.7° | 120.0° |
| C33 | C31 | C30 | H33 | 122.6° | 120.0° |
| C33 | C31 | C32 | H33 | 121.5° | 120.0° |
| C33 | C31 | C32 | C24 | 59.8° | 60.0° |
| C31 | C33 | C26 | H25 | 179.3° | 180.0° |
| C33 | C31 | C30 | H31 | 176.0° | 180.0° |
| C33 | C31 | C30 | H32 | 64.4° | 60.0° |
| C33 | C31 | C32 | H34 | 180.0° | 60.0° |
| C33 | C31 | C32 | H35 | 60.4° | 180.0° |
| C31 | C33 | H36 | H37 | 119.3° | 120.0° |
| C30 | C28 | C29 | H28 | 119.2° | 120.0° |
| C28 | C30 | C31 | H31 | 120.2° | 120.0° |
| C28 | C30 | C31 | H32 | 120.2° | 120.0° |
| C28 | C30 | C31 | C32 | 60.9° | 60.0° |
| C30 | C28 | C29 | C24 | 64.6° | 60.0° |
| C30 | C28 | C27 | H26 | 179.8° | 180.0° |
| C30 | C28 | C27 | H27 | 60.5° | 60.0° |
| C30 | C28 | C29 | H29 | 175.2° | 60.0° |
| C30 | C28 | C29 | H30 | 55.5° | 180.0° |
| C28 | C30 | H31 | H32 | 119.3° | 120.0° |
| C28 | C30 | C31 | H33 | 178.4° | 180.0° |
| C29 | C28 | C30 | C31 | 63.8° | 60.0° |
| C28 | C29 | C24 | C25 | 53.5° | 60.0° |
| C28 | C29 | C24 | H29 | 120.2° | 120.0° |
| C28 | C29 | C24 | H30 | 120.1° | 120.0° |
| C28 | C29 | C24 | C32 | 62.6° | 60.0° |
| C28 | C29 | C24 | C23 | 177.8° | 180.0° |
| C29 | C28 | C27 | H26 | 63.6° | 60.0° |
| C29 | C28 | C27 | H27 | 177.2° | 180.0° |
| C28 | C29 | H29 | H30 | 119.5° | 120.0° |
| C29 | C28 | C30 | H31 | 56.4° | 60.0° |
| C29 | C28 | C30 | H32 | 175.9° | 180.0° |
| C30 | C31 | C32 | H33 | 120.7° | 120.0° |
| C30 | C31 | C32 | C24 | 58.0° | 60.0° |
| C31 | C30 | C28 | H28 | 176.8° | 180.0° |
| C31 | C30 | H31 | H32 | 119.3° | 120.0° |
| C30 | C31 | C32 | H34 | 62.2° | 179.9° |
| C30 | C31 | C32 | H35 | 178.2° | 60.0° |
| C30 | C31 | C33 | H36 | 61.7° | 60.0° |
| C30 | C31 | C33 | H37 | 178.7° | 180.0° |
| C31 | C32 | C24 | C25 | 62.2° | 60.0° |
| C31 | C32 | C24 | C29 | 59.4° | 60.0° |
| C31 | C32 | C24 | H34 | 120.2° | 119.9° |
| C31 | C32 | C24 | H35 | 120.2° | 120.0° |
| C31 | C32 | C24 | C23 | 179.3° | 180.0° |
| C32 | C31 | C30 | H31 | 59.3° | 60.0° |
| C32 | C31 | C30 | H32 | 178.8° | 180.0° |
| C31 | C32 | H34 | H35 | 119.4° | 120.0° |
| C32 | C31 | C33 | H36 | 177.7° | 180.0° |
| C32 | C31 | C33 | H37 | 62.7° | 60.0° |
| C25 | C24 | C29 | C32 | 116.1° | 120.0° |
| C25 | C24 | C29 | C23 | 124.3° | 120.0° |
| C25 | C24 | C32 | C23 | 117.1° | 120.0° |
| C25 | C24 | C23 | O22 | 86.6° | 60.0° |
| C25 | C24 | C23 | H21 | 32.8° | 180.0° |
| C25 | C24 | C23 | H22 | 154.1° | 60.1° |
| C24 | C25 | H23 | H24 | 119.1° | 120.0° |
| C24 | C25 | C26 | H25 | 176.2° | 180.0° |
| C25 | C24 | C29 | H29 | 66.7° | 180.0° |
| C25 | C24 | C29 | H30 | 173.6° | 60.0° |
| C25 | C24 | C32 | H34 | 177.5° | 60.0° |
| C25 | C24 | C32 | H35 | 58.0° | 180.0° |
| C29 | C24 | C32 | C23 | 121.3° | 120.0° |
| C29 | C24 | C23 | O22 | 146.6° | 60.0° |
| C29 | C24 | C23 | H21 | 94.0° | 60.0° |
| C29 | C24 | C23 | H22 | 27.2° | 180.0° |
| C29 | C24 | C25 | H23 | 174.0° | 60.0° |
| C29 | C24 | C25 | H24 | 66.6° | 180.0° |
| C24 | C29 | C28 | H28 | 176.1° | 180.0° |
| C24 | C29 | H29 | H30 | 119.6° | 120.0° |
| C29 | C24 | C32 | H34 | 60.8° | 180.0° |
| C29 | C24 | C32 | H35 | 179.6° | 60.0° |
| C32 | C24 | C23 | O22 | 28.0° | 180.0° |
| C32 | C24 | C23 | H21 | 147.4° | 60.0° |
| C32 | C24 | C23 | H22 | 91.4° | 60.0° |
| C32 | C24 | C25 | H23 | 56.5° | 180.0° |
| C32 | C24 | C25 | H24 | 176.0° | 60.0° |
| C32 | C24 | C29 | H29 | 177.2° | 60.0° |
| C32 | C24 | C29 | H30 | 57.5° | 180.0° |
| C24 | C32 | C31 | H33 | 178.6° | 180.0° |
| C24 | C32 | H34 | H35 | 119.3° | 120.0° |
| C24 | C23 | O22 | H21 | 119.4° | 120.0° |
| C24 | C23 | O22 | H22 | 119.4° | 120.0° |
| C24 | C23 | O22 | C02 | 173.2° | 180.0° |
| C24 | C23 | H21 | H22 | 121.7° | 120.0° |
| C23 | C24 | C25 | H23 | 60.4° | 60.0° |
| C23 | C24 | C25 | H24 | 59.1° | 60.0° |
| C23 | C24 | C29 | H29 | 57.6° | 60.0° |
| C23 | C24 | C29 | H30 | 62.1° | 60.0° |
| C23 | C24 | C32 | H34 | 60.4° | 60.0° |
| C23 | C24 | C32 | H35 | 59.1° | 60.0° |
| C23 | O22 | C02 | N03 | 149.2° | 180.0° |
| C23 | O22 | C02 | O01 | 30.5° | 0.3° |
| O22 | C23 | H21 | H22 | 121.8° | 120.0° |
| O22 | C02 | N03 | O01 | 179.7° | 179.6° |
| O22 | C02 | N03 | C04 | 179.0° | 174.7° |
| C02 | O22 | C23 | H21 | 53.8° | 60.0° |
| C02 | O22 | C23 | H22 | 67.4° | 60.0° |
| O22 | C02 | N03 | H38 | 1.0° | 5.3° |
| C02 | N03 | C04 | H38 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 66.4° | 158.1° |
| C02 | N03 | C04 | C05 | 171.8° | 81.9° |
| C02 | N03 | C04 | H1 | 53.9° | 38.2° |
| O01 | C02 | N03 | C04 | 1.2° | 4.9° |
| O01 | C02 | N03 | H38 | 178.7° | 175.1° |
| C17 | C16 | N15 | H15 | 120.1° | 119.0° |
| C17 | C16 | N15 | H16 | 120.1° | 119.0° |
| C16 | C17 | C13 | H17 | 119.2° | 118.2° |
| C16 | C17 | C13 | H18 | 119.2° | 118.1° |
| C17 | C16 | N15 | C14 | 12.9° | 17.0° |
| C16 | C17 | C13 | C14 | 18.8° | 24.8° |
| C16 | C17 | C13 | C12 | 137.7° | 93.9° |
| C16 | C17 | C13 | H14 | 99.7° | 143.5° |
| C17 | C16 | H15 | H16 | 119.6° | 122.0° |
| C16 | C17 | H17 | H18 | 122.4° | 123.8° |
| C17 | C16 | N15 | H40 | 167.1° | 162.9° |
| N15 | C16 | C17 | C13 | 20.1° | 25.4° |
| C16 | N15 | C14 | H40 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 0.2° | 0.3° |
| C16 | N15 | C14 | O18 | 179.0° | 179.6° |
| N15 | C16 | H15 | H16 | 119.6° | 122.0° |
| N15 | C16 | C17 | H17 | 139.2° | 143.5° |
| N15 | C16 | C17 | H18 | 99.1° | 92.7° |
| N03 | C04 | C09 | O21 | 38.5° | 20.8° |
| N03 | C04 | C09 | C05 | 121.6° | 120.1° |
| N03 | C04 | C09 | H1 | 120.7° | 119.9° |
| N03 | C04 | C05 | H1 | 118.9° | 120.0° |
| N03 | C04 | C09 | N10 | 141.9° | 159.3° |
| N03 | C04 | C05 | C06 | 61.4° | 176.4° |
| N03 | C04 | C05 | H2 | 59.0° | 56.3° |
| N03 | C04 | C05 | H3 | 178.3° | 63.6° |
| O21 | C09 | C04 | N10 | 179.6° | 180.0° |
| O21 | C09 | C04 | C05 | 83.1° | 99.3° |
| O21 | C09 | N10 | C11 | 1.0° | 5.1° |
| O21 | C09 | C04 | H1 | 159.2° | 140.7° |
| O21 | C09 | N10 | H39 | 179.0° | 174.9° |
| C17 | C13 | C14 | N15 | 12.1° | 16.3° |
| C17 | C13 | C14 | C12 | 118.4° | 118.7° |
| C17 | C13 | C14 | H14 | 118.2° | 118.8° |
| C17 | C13 | C12 | H14 | 122.5° | 122.6° |
| C17 | C13 | C14 | O18 | 169.2° | 163.8° |
| C17 | C13 | C12 | C11 | 68.3° | 178.7° |
| C17 | C13 | C12 | H12 | 51.8° | 61.2° |
| C17 | C13 | C12 | H13 | 171.6° | 58.7° |
| C13 | C17 | C16 | H15 | 140.2° | 93.6° |
| C13 | C17 | C16 | H16 | 100.1° | 144.4° |
| C13 | C17 | H17 | H18 | 122.4° | 123.8° |
| N15 | C14 | C13 | O18 | 178.7° | 180.0° |
| N15 | C14 | C13 | C12 | 130.4° | 102.4° |
| N15 | C14 | C13 | H14 | 106.1° | 135.1° |
| C14 | N15 | C16 | H15 | 133.0° | 102.0° |
| C14 | N15 | C16 | H16 | 107.2° | 136.0° |
| C09 | C04 | C05 | H1 | 118.0° | 120.0° |
| C09 | C04 | C05 | C06 | 175.5° | 63.6° |
| C04 | C09 | N10 | C11 | 178.6° | 174.9° |
| C09 | C04 | C05 | H2 | 64.1° | 176.4° |
| C09 | C04 | C05 | H3 | 55.1° | 56.5° |
| C09 | C04 | N03 | H38 | 113.6° | 21.9° |
| C04 | C09 | N10 | H39 | 1.4° | 5.1° |
| C05 | C04 | C09 | N10 | 96.5° | 80.7° |
| C04 | C05 | C06 | H2 | 120.4° | 120.0° |
| C04 | C05 | C06 | H3 | 120.4° | 120.0° |
| C04 | C05 | C06 | C08 | 174.7° | 175.1° |
| C04 | C05 | C06 | C07 | 61.5° | 64.8° |
| C04 | C05 | H2 | H3 | 118.8° | 120.0° |
| C04 | C05 | C06 | H4 | 56.6° | 55.2° |
| C05 | C04 | N03 | H38 | 8.2° | 98.1° |
| C09 | N10 | C11 | H39 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 112.7° | 155.9° |
| C09 | N10 | C11 | C19 | 128.0° | 84.1° |
| N10 | C09 | C04 | H1 | 21.2° | 39.3° |
| C09 | N10 | C11 | H11 | 7.5° | 35.9° |
| C14 | C13 | C12 | H14 | 123.5° | 122.6° |
| C14 | C13 | C12 | C11 | 177.7° | 66.4° |
| C14 | C13 | C12 | H12 | 62.2° | 53.6° |
| C14 | C13 | C12 | H13 | 57.6° | 173.5° |
| C14 | C13 | C17 | H17 | 138.0° | 143.0° |
| C14 | C13 | C17 | H18 | 100.4° | 93.3° |
| C13 | C14 | N15 | H40 | 179.8° | 179.5° |
| C12 | C13 | C14 | O18 | 50.9° | 77.6° |
| C13 | C12 | C11 | N10 | 71.8° | 67.7° |
| C13 | C12 | C11 | H12 | 120.1° | 120.0° |
| C13 | C12 | C11 | H13 | 120.1° | 120.0° |
| C13 | C12 | C11 | C19 | 171.2° | 172.3° |
| C13 | C12 | C11 | H11 | 49.5° | 52.3° |
| C13 | C12 | H12 | H13 | 119.7° | 120.0° |
| C12 | C13 | C17 | H17 | 103.1° | 24.2° |
| C12 | C13 | C17 | H18 | 18.6° | 148.0° |
| O18 | C14 | C13 | H14 | 72.6° | 45.0° |
| O18 | C14 | N15 | H40 | 1.0° | 0.5° |
| C05 | C06 | C08 | C07 | 124.6° | 120.0° |
| C05 | C06 | C08 | H4 | 117.9° | 120.0° |
| C05 | C06 | C07 | H4 | 118.0° | 120.0° |
| C06 | C05 | C04 | H1 | 57.5° | 56.4° |
| C06 | C05 | H2 | H3 | 118.8° | 120.0° |
| C05 | C06 | C07 | H5 | 180.0° | 175.8° |
| C05 | C06 | C07 | H6 | 60.0° | 55.9° |
| C05 | C06 | C07 | H7 | 60.0° | 64.1° |
| C05 | C06 | C08 | H8 | 180.0° | 60.0° |
| C05 | C06 | C08 | H9 | 60.0° | 180.0° |
| C05 | C06 | C08 | H10 | 60.0° | 60.0° |
| C08 | C06 | C07 | H4 | 117.4° | 120.0° |
| C08 | C06 | C05 | H2 | 54.3° | 64.8° |
| C08 | C06 | C05 | H3 | 64.9° | 55.1° |
| C08 | C06 | C07 | H5 | 55.5° | 64.1° |
| C08 | C06 | C07 | H6 | 64.6° | 175.9° |
| C08 | C06 | C07 | H7 | 175.4° | 55.9° |
| C06 | C08 | H8 | H9 | 120.0° | 120.1° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C07 | C06 | C05 | H2 | 178.1° | 55.2° |
| C07 | C06 | C05 | H3 | 58.9° | 175.1° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C07 | C06 | C08 | H8 | 55.4° | 180.0° |
| C07 | C06 | C08 | H9 | 175.4° | 60.0° |
| C07 | C06 | C08 | H10 | 64.6° | 60.0° |
| N10 | C11 | C12 | C19 | 117.0° | 120.0° |
| N10 | C11 | C12 | H11 | 121.3° | 120.0° |
| N10 | C11 | C19 | H11 | 121.5° | 120.0° |
| N10 | C11 | C19 | O20 | 176.3° | 66.2° |
| N10 | C11 | C12 | H12 | 168.1° | 52.3° |
| N10 | C11 | C12 | H13 | 48.3° | 172.3° |
| N10 | C11 | C19 | H19 | 67.6° | 53.8° |
| N10 | C11 | C19 | S1 | 56.5° | 173.8° |
| C12 | C11 | C19 | H11 | 121.7° | 120.0° |
| C12 | C11 | C19 | O20 | 66.9° | 53.7° |
| C11 | C12 | H12 | H13 | 119.7° | 120.0° |
| C11 | C12 | C13 | H14 | 54.2° | 56.1° |
| C12 | C11 | C19 | H19 | 49.2° | 173.8° |
| C12 | C11 | C19 | S1 | 173.3° | 66.2° |
| C12 | C11 | N10 | H39 | 67.3° | 24.1° |
| C11 | C19 | O20 | H19 | 115.0° | 120.0° |
| C11 | C19 | O20 | S1 | 119.8° | 119.9° |
| C19 | C11 | C12 | H12 | 51.1° | 67.7° |
| C19 | C11 | C12 | H13 | 68.7° | 52.3° |
| C11 | C19 | H19 | S1 | 121.3° | 120.0° |
| C19 | C11 | N10 | H39 | 52.0° | 95.9° |
| C11 | C19 | O20 | H41 | 180.0° | 60.0° |
| C11 | C19 | S1 | O2 | 86.4° | 165.8° |
| C11 | C19 | S1 | O3 | 86.4° | 54.2° |
| C11 | C19 | S1 | O1 | 86.4° | 57.5° |
| O20 | C19 | C11 | H11 | 54.8° | 173.8° |
| O20 | C19 | H19 | S1 | 122.5° | 120.0° |
| O20 | C19 | S1 | O2 | 32.5° | 74.2° |
| O20 | C19 | S1 | O3 | 32.5° | 174.1° |
| O20 | C19 | S1 | O1 | 32.5° | 62.5° |
| H1 | C04 | C05 | H2 | 177.9° | 63.6° |
| H1 | C04 | C05 | H3 | 62.9° | 176.4° |
| H1 | C04 | N03 | H38 | 126.2° | 141.8° |
| H2 | C05 | C06 | H4 | 63.8° | 175.2° |
| H3 | C05 | C06 | H4 | 177.0° | 64.8° |
| H4 | C06 | C07 | H5 | 62.0° | 55.8° |
| H4 | C06 | C07 | H6 | 178.0° | 64.1° |
| H4 | C06 | C07 | H7 | 58.0° | 175.9° |
| H4 | C06 | C08 | H8 | 62.1° | 60.0° |
| H4 | C06 | C08 | H9 | 57.9° | 60.0° |
| H4 | C06 | C08 | H10 | 177.9° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 70.6° | 172.3° |
| H11 | C11 | C12 | H13 | 169.6° | 67.7° |
| H11 | C11 | C19 | H19 | 170.9° | 66.2° |
| H11 | C11 | C19 | S1 | 65.1° | 53.8° |
| H11 | C11 | N10 | H39 | 172.5° | 144.1° |
| H12 | C12 | C13 | H14 | 174.3° | 176.1° |
| H13 | C12 | C13 | H14 | 65.9° | 63.9° |
| H14 | C13 | C17 | H17 | 19.5° | 98.3° |
| H14 | C13 | C17 | H18 | 141.2° | 25.4° |
| H15 | C16 | C17 | H17 | 100.6° | 24.5° |
| H15 | C16 | C17 | H18 | 21.0° | 148.3° |
| H15 | C16 | N15 | H40 | 47.0° | 78.1° |
| H16 | C16 | C17 | H17 | 19.1° | 97.5° |
| H16 | C16 | C17 | H18 | 140.7° | 26.3° |
| H16 | C16 | N15 | H40 | 72.7° | 43.9° |
| H19 | C19 | O20 | H41 | 65.0° | 60.0° |
| H19 | C19 | S1 | O2 | 154.1° | 45.8° |
| H19 | C19 | S1 | O3 | 154.1° | 65.8° |
| H19 | C19 | S1 | O1 | 154.1° | 177.5° |
| S1 | C19 | O20 | H41 | 60.1° | 180.0° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O1 | 90.0° | 131.5° |
| C19 | S1 | O3 | O1 | 90.0° | 116.1° |
| C19 | S1 | O3 | H20 | 90.0° | 180.0° |
| H23 | C25 | C26 | H25 | 63.5° | 60.0° |
| H24 | C25 | C26 | H25 | 56.0° | 60.0° |
| H25 | C26 | C27 | H26 | 58.1° | 60.0° |
| H25 | C26 | C27 | H27 | 61.1° | 59.9° |
| H25 | C26 | C33 | H36 | 60.5° | 59.9° |
| H25 | C26 | C33 | H37 | 59.1° | 60.0° |
| H26 | C27 | C28 | H28 | 58.8° | 60.0° |
| H27 | C27 | C28 | H28 | 60.4° | 60.0° |
| H28 | C28 | C29 | H29 | 56.0° | 60.0° |
| H28 | C28 | C29 | H30 | 63.7° | 60.0° |
| H28 | C28 | C30 | H31 | 63.0° | 60.0° |
| H28 | C28 | C30 | H32 | 56.5° | 60.0° |
| H31 | C30 | C31 | H33 | 61.4° | 60.0° |
| H32 | C30 | C31 | H33 | 58.2° | 60.0° |
| H33 | C31 | C32 | H34 | 58.4° | 60.0° |
| H33 | C31 | C32 | H35 | 61.1° | 60.0° |
| H33 | C31 | C33 | H36 | 60.8° | 60.0° |
| H33 | C31 | C33 | H37 | 58.7° | 60.0° |
| O2 | S1 | O3 | O1 | 90.0° | 127.9° |
| O2 | S1 | O3 | H20 | 90.0° | 63.9° |
| O1 | S1 | O3 | H20 | 90.0° | 64.0° |
