FVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | S29 | sing | 1.81Å | 1.65Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.49Å | |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| S29 | O30 | doub | 1.42Å | 1.42Å | |
| S29 | N28 | sing | 1.66Å | 1.64Å | |
| S29 | O32 | doub | 1.42Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| C06 | C08 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| N28 | C33 | sing | 1.47Å | 1.46Å | |
| C25 | C35 | sing | 1.53Å | 1.51Å | |
| C25 | C34 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C23 | sing | 1.54Å | 1.55Å | |
| C24 | C23 | sing | 1.54Å | 1.55Å | |
| N03 | C04 | sing | 1.47Å | 1.43Å | |
| N03 | C02 | sing | 1.35Å | 1.37Å | |
| O22 | C23 | sing | 1.45Å | 1.39Å | |
| O22 | C02 | sing | 1.35Å | 1.37Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| C09 | O21 | doub | 1.21Å | 1.22Å | |
| C09 | N10 | sing | 1.35Å | 1.37Å | |
| N10 | C11 | sing | 1.46Å | 1.44Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C04 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C05 | H28 | sing | 1.09Å | 1.10Å | |
| C06 | H29 | sing | 1.09Å | 1.10Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H31 | sing | 1.09Å | 1.10Å | |
| C07 | H32 | sing | 1.09Å | 1.10Å | |
| C08 | H33 | sing | 1.09Å | 1.10Å | |
| C08 | H34 | sing | 1.09Å | 1.10Å | |
| C08 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| N03 | H37 | sing | 0.97Å | 1.00Å | |
| N10 | H38 | sing | 0.97Å | 1.00Å | |
| N15 | H39 | sing | 0.97Å | 1.00Å | |
| O20 | H40 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 21.50Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| O3 | H7 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | S29 | O30 | 109.3° | 110.6° |
| C31 | S29 | N28 | 107.6° | 104.5° |
| C31 | S29 | O32 | 108.6° | 110.6° |
| S29 | C31 | H8 | 109.5° | 109.5° |
| S29 | C31 | H9 | 109.5° | 109.5° |
| S29 | C31 | H10 | 109.5° | 109.5° |
| C07 | C06 | C08 | 110.6° | 109.5° |
| C07 | C06 | C05 | 111.6° | 109.5° |
| C07 | C06 | H29 | 107.6° | 109.4° |
| C06 | C07 | H30 | 109.5° | 109.5° |
| C06 | C07 | H31 | 109.5° | 109.5° |
| C06 | C07 | H32 | 109.5° | 109.5° |
| C26 | C27 | N28 | 115.5° | 108.8° |
| C27 | C26 | C25 | 112.7° | 109.2° |
| C27 | C26 | H22 | 108.6° | 109.5° |
| C27 | C26 | H23 | 108.6° | 109.6° |
| C26 | C27 | H24 | 108.0° | 109.6° |
| C26 | C27 | H25 | 108.0° | 109.6° |
| C27 | N28 | S29 | 121.0° | 120.5° |
| C27 | N28 | C33 | 114.0° | 119.0° |
| N28 | C27 | H24 | 108.0° | 109.6° |
| N28 | C27 | H25 | 108.0° | 109.6° |
| O30 | S29 | N28 | 107.4° | 104.3° |
| O30 | S29 | O32 | 116.9° | 121.0° |
| N28 | S29 | O32 | 106.6° | 104.3° |
| S29 | N28 | C33 | 120.5° | 120.5° |
| C26 | C25 | C35 | 118.6° | 113.5° |
| C26 | C25 | C34 | 106.1° | 113.0° |
| C26 | C25 | C24 | 112.7° | 113.5° |
| C25 | C26 | H22 | 108.7° | 109.5° |
| C25 | C26 | H23 | 108.7° | 109.5° |
| C08 | C06 | C05 | 111.4° | 109.5° |
| C08 | C06 | H29 | 107.6° | 109.5° |
| C06 | C08 | H33 | 109.5° | 109.5° |
| C06 | C08 | H34 | 109.5° | 109.4° |
| C06 | C08 | H35 | 109.4° | 109.4° |
| C06 | C05 | C04 | 113.1° | 109.5° |
| C06 | C05 | H27 | 108.5° | 109.5° |
| C06 | C05 | H28 | 108.5° | 109.5° |
| C05 | C06 | H29 | 107.9° | 109.5° |
| N28 | C33 | C34 | 117.8° | 108.8° |
| N28 | C33 | H11 | 107.3° | 109.6° |
| N28 | C33 | H12 | 107.3° | 109.6° |
| C35 | C25 | C34 | 113.2° | 113.5° |
| C35 | C25 | C24 | 87.9° | 87.4° |
| C25 | C35 | C23 | 92.5° | 87.0° |
| C25 | C35 | H15 | 113.5° | 113.6° |
| C25 | C35 | H16 | 113.5° | 113.7° |
| C34 | C25 | C24 | 118.3° | 113.5° |
| C25 | C34 | C33 | 114.4° | 109.2° |
| C25 | C34 | H13 | 108.2° | 109.6° |
| C25 | C34 | H14 | 108.2° | 109.5° |
| C25 | C24 | C23 | 91.0° | 87.0° |
| C25 | C24 | H20 | 113.9° | 113.6° |
| C25 | C24 | H21 | 113.9° | 113.7° |
| C05 | C04 | N03 | 109.3° | 109.5° |
| C05 | C04 | C09 | 109.8° | 109.5° |
| C05 | C04 | H26 | 108.3° | 109.4° |
| C04 | C05 | H27 | 108.6° | 109.5° |
| C04 | C05 | H28 | 108.6° | 109.4° |
| C34 | C33 | H11 | 107.3° | 109.6° |
| C34 | C33 | H12 | 107.3° | 109.6° |
| C33 | C34 | H13 | 108.2° | 109.5° |
| C33 | C34 | H14 | 108.2° | 109.5° |
| C35 | C23 | C24 | 86.8° | 87.2° |
| C35 | C23 | O22 | 112.1° | 113.6° |
| C23 | C35 | H15 | 113.5° | 113.6° |
| C23 | C35 | H16 | 113.5° | 113.7° |
| C35 | C23 | H19 | 112.2° | 113.6° |
| C24 | C23 | O22 | 115.5° | 113.6° |
| C24 | C23 | H19 | 112.2° | 113.7° |
| C23 | C24 | H20 | 113.9° | 113.7° |
| C23 | C24 | H21 | 113.9° | 113.7° |
| C04 | N03 | C02 | 120.7° | 120.0° |
| N03 | C04 | C09 | 111.5° | 109.5° |
| N03 | C04 | H26 | 109.6° | 109.5° |
| C04 | N03 | H37 | 119.6° | 120.0° |
| N03 | C02 | O22 | 113.5° | 120.0° |
| N03 | C02 | O01 | 124.7° | 120.0° |
| C02 | N03 | H37 | 119.7° | 120.0° |
| C23 | O22 | C02 | 117.2° | 117.0° |
| O22 | C23 | H19 | 114.8° | 112.8° |
| O22 | C02 | O01 | 121.7° | 120.0° |
| C04 | C09 | O21 | 119.8° | 120.0° |
| C04 | C09 | N10 | 120.8° | 120.0° |
| C09 | C04 | H26 | 108.2° | 109.4° |
| O21 | C09 | N10 | 119.4° | 120.0° |
| C09 | N10 | C11 | 124.3° | 120.0° |
| C09 | N10 | H38 | 117.8° | 120.0° |
| N10 | C11 | C19 | 107.7° | 109.5° |
| N10 | C11 | C12 | 110.1° | 109.5° |
| N10 | C11 | H36 | 109.9° | 109.5° |
| C11 | N10 | H38 | 117.9° | 120.0° |
| C19 | C11 | C12 | 112.3° | 109.5° |
| C11 | C19 | O20 | 110.0° | 109.5° |
| C11 | C19 | H6 | 112.4° | 109.4° |
| C19 | C11 | H36 | 108.6° | 109.5° |
| C11 | C19 | S1 | 103.6° | 109.5° |
| C11 | C12 | C13 | 113.1° | 109.5° |
| C11 | C12 | H17 | 108.5° | 109.4° |
| C11 | C12 | H18 | 108.5° | 109.5° |
| C12 | C11 | H36 | 108.2° | 109.5° |
| O20 | C19 | H6 | 114.4° | 109.5° |
| C19 | O20 | H40 | 109.5° | 114.1° |
| O20 | C19 | S1 | 123.5° | 109.5° |
| C12 | C13 | C17 | 113.2° | 110.5° |
| C12 | C13 | C14 | 110.7° | 110.5° |
| C12 | C13 | H1 | 109.7° | 110.5° |
| C13 | C12 | H17 | 108.5° | 109.4° |
| C13 | C12 | H18 | 108.6° | 109.5° |
| C17 | C13 | C14 | 104.3° | 104.2° |
| C13 | C17 | C16 | 105.7° | 101.7° |
| C17 | C13 | H1 | 109.3° | 110.5° |
| C13 | C17 | H4 | 110.4° | 110.9° |
| C13 | C17 | H5 | 110.4° | 111.0° |
| C13 | C14 | O18 | 128.8° | 125.0° |
| C13 | C14 | N15 | 107.0° | 110.1° |
| C14 | C13 | H1 | 109.4° | 110.5° |
| C17 | C16 | N15 | 104.3° | 105.5° |
| C17 | C16 | H2 | 110.8° | 110.3° |
| C17 | C16 | H3 | 110.7° | 110.3° |
| C16 | C17 | H4 | 110.4° | 111.0° |
| C16 | C17 | H5 | 110.4° | 111.0° |
| O18 | C14 | N15 | 124.2° | 124.9° |
| C14 | N15 | C16 | 113.6° | 111.3° |
| C14 | N15 | H39 | 123.2° | 124.4° |
| N15 | C16 | H2 | 110.7° | 110.3° |
| N15 | C16 | H3 | 110.7° | 110.2° |
| C16 | N15 | H39 | 123.2° | 124.3° |
| H2 | C16 | H3 | 109.5° | 110.2° |
| H4 | C17 | H5 | 109.5° | 110.9° |
| H6 | C19 | S1 | 91.6° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H8 | C31 | H10 | 109.5° | 109.4° |
| H9 | C31 | H10 | 109.5° | 109.4° |
| H11 | C33 | H12 | 109.4° | 109.7° |
| H13 | C34 | H14 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.5° | 112.9° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.4° | 112.8° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.7° |
| H27 | C05 | H28 | 109.5° | 109.5° |
| H30 | C07 | H31 | 109.5° | 109.5° |
| H30 | C07 | H32 | 109.5° | 109.4° |
| H31 | C07 | H32 | 109.5° | 109.4° |
| H33 | C08 | H34 | 109.4° | 109.5° |
| H33 | C08 | H35 | 109.5° | 109.5° |
| H34 | C08 | H35 | 109.5° | 109.5° |
| C19 | S1 | O2 | 90.0° | 110.6° |
| C19 | S1 | O3 | 90.0° | 104.5° |
| C19 | S1 | O1 | 90.0° | 110.6° |
| O2 | S1 | O3 | 90.0° | 104.2° |
| O2 | S1 | O1 | 90.0° | 121.1° |
| O3 | S1 | O1 | 90.0° | 104.2° |
| S1 | O3 | H7 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | S29 | N28 | C27 | 43.2° | 90.3° |
| C31 | S29 | O30 | N28 | 116.5° | 111.8° |
| C31 | S29 | O30 | O32 | 123.8° | 131.5° |
| C31 | S29 | N28 | O32 | 116.3° | 116.1° |
| C31 | S29 | N28 | C33 | 162.2° | 90.0° |
| S29 | C31 | H8 | H9 | 120.0° | 120.1° |
| S29 | C31 | H8 | H10 | 120.0° | 120.0° |
| S29 | C31 | H9 | H10 | 120.0° | 120.0° |
| C07 | C06 | C08 | C05 | 124.8° | 120.0° |
| C07 | C06 | C08 | H29 | 117.2° | 119.9° |
| C07 | C06 | C05 | H29 | 118.0° | 120.0° |
| C07 | C06 | C05 | C04 | 170.0° | 64.7° |
| C07 | C06 | C05 | H27 | 69.5° | 55.3° |
| C07 | C06 | C05 | H28 | 49.4° | 175.3° |
| C06 | C07 | H30 | H31 | 120.0° | 120.1° |
| C06 | C07 | H30 | H32 | 120.0° | 120.0° |
| C06 | C07 | H31 | H32 | 120.0° | 120.0° |
| C07 | C06 | C08 | H33 | 180.0° | 180.0° |
| C07 | C06 | C08 | H34 | 60.0° | 60.0° |
| C07 | C06 | C08 | H35 | 60.0° | 60.0° |
| C26 | C27 | N28 | H24 | 120.9° | 119.8° |
| C26 | C27 | N28 | H25 | 120.9° | 119.8° |
| C26 | C27 | N28 | S29 | 166.2° | 124.2° |
| C27 | C26 | C25 | H22 | 120.5° | 119.9° |
| C27 | C26 | C25 | H23 | 120.5° | 120.0° |
| C26 | C27 | N28 | C33 | 37.6° | 55.6° |
| C27 | C26 | C25 | C35 | 170.4° | 171.3° |
| C27 | C26 | C25 | C34 | 61.0° | 57.6° |
| C27 | C26 | C25 | C24 | 69.9° | 73.5° |
| C27 | C26 | H22 | H23 | 118.5° | 120.2° |
| C26 | C27 | H24 | H25 | 117.3° | 120.4° |
| C27 | N28 | S29 | O30 | 160.8° | 25.8° |
| C27 | N28 | S29 | C33 | 154.7° | 179.8° |
| C27 | N28 | S29 | O32 | 73.2° | 153.6° |
| N28 | C27 | C26 | C25 | 55.3° | 52.5° |
| C27 | N28 | C33 | C34 | 30.6° | 55.5° |
| C27 | N28 | C33 | H11 | 90.6° | 64.2° |
| C27 | N28 | C33 | H12 | 151.9° | 175.3° |
| N28 | C27 | C26 | H22 | 65.1° | 67.4° |
| N28 | C27 | C26 | H23 | 175.8° | 172.5° |
| N28 | C27 | H24 | H25 | 117.3° | 120.3° |
| O30 | S29 | N28 | O32 | 126.1° | 127.8° |
| O30 | S29 | N28 | C33 | 44.6° | 153.9° |
| O30 | S29 | C31 | H8 | 180.0° | 68.3° |
| O30 | S29 | C31 | H9 | 60.0° | 171.6° |
| O30 | S29 | C31 | H10 | 60.0° | 51.6° |
| S29 | N28 | C33 | C34 | 173.0° | 124.2° |
| N28 | S29 | C31 | H8 | 63.6° | 180.0° |
| N28 | S29 | C31 | H9 | 56.4° | 60.0° |
| N28 | S29 | C31 | H10 | 176.4° | 60.0° |
| S29 | N28 | C33 | H11 | 65.8° | 116.0° |
| S29 | N28 | C33 | H12 | 51.8° | 4.4° |
| S29 | N28 | C27 | H24 | 72.9° | 4.4° |
| S29 | N28 | C27 | H25 | 45.3° | 116.0° |
| O32 | S29 | N28 | C33 | 81.5° | 26.1° |
| O32 | S29 | C31 | H8 | 51.5° | 68.4° |
| O32 | S29 | C31 | H9 | 171.4° | 51.7° |
| O32 | S29 | C31 | H10 | 68.6° | 171.6° |
| C26 | C25 | C35 | C34 | 125.2° | 130.9° |
| C26 | C25 | C35 | C24 | 114.8° | 114.6° |
| C26 | C25 | C34 | C24 | 127.6° | 131.1° |
| C26 | C25 | C34 | C33 | 53.4° | 57.6° |
| C26 | C25 | C35 | C23 | 125.0° | 89.3° |
| C26 | C25 | C24 | C23 | 130.5° | 89.3° |
| C26 | C25 | C34 | H13 | 67.3° | 177.5° |
| C26 | C25 | C34 | H14 | 174.2° | 62.3° |
| C26 | C25 | C35 | H15 | 117.9° | 25.2° |
| C26 | C25 | C35 | H16 | 8.0° | 156.1° |
| C26 | C25 | C24 | H20 | 13.7° | 156.1° |
| C26 | C25 | C24 | H21 | 112.7° | 25.2° |
| C25 | C26 | H22 | H23 | 118.6° | 120.1° |
| C25 | C26 | C27 | H24 | 65.5° | 172.3° |
| C25 | C26 | C27 | H25 | 176.2° | 67.3° |
| C08 | C06 | C05 | H29 | 117.8° | 120.0° |
| C08 | C06 | C05 | C04 | 65.9° | 175.3° |
| C08 | C06 | C05 | H27 | 54.7° | 64.7° |
| C08 | C06 | C05 | H28 | 173.6° | 55.4° |
| C08 | C06 | C07 | H30 | 180.0° | 56.2° |
| C08 | C06 | C07 | H31 | 60.0° | 63.9° |
| C08 | C06 | C07 | H32 | 60.0° | 176.1° |
| C06 | C08 | H33 | H34 | 120.0° | 120.0° |
| C06 | C08 | H33 | H35 | 120.0° | 120.0° |
| C06 | C08 | H34 | H35 | 120.0° | 120.0° |
| C06 | C05 | C04 | H27 | 120.5° | 120.0° |
| C06 | C05 | C04 | H28 | 120.5° | 120.0° |
| C06 | C05 | C04 | N03 | 64.1° | 180.0° |
| C06 | C05 | C04 | C09 | 173.2° | 59.9° |
| C06 | C05 | C04 | H26 | 55.2° | 60.0° |
| C06 | C05 | H27 | H28 | 118.3° | 120.0° |
| C05 | C06 | C07 | H30 | 55.4° | 63.8° |
| C05 | C06 | C07 | H31 | 64.6° | 176.1° |
| C05 | C06 | C07 | H32 | 175.4° | 56.1° |
| C05 | C06 | C08 | H33 | 55.2° | 60.0° |
| C05 | C06 | C08 | H34 | 175.2° | 180.0° |
| C05 | C06 | C08 | H35 | 64.8° | 60.0° |
| N28 | C33 | C34 | C25 | 40.9° | 52.5° |
| N28 | C33 | C34 | H11 | 121.2° | 119.8° |
| N28 | C33 | C34 | H12 | 121.2° | 119.8° |
| N28 | C33 | H11 | H12 | 116.2° | 120.4° |
| N28 | C33 | C34 | H13 | 79.8° | 172.5° |
| N28 | C33 | C34 | H14 | 161.6° | 67.4° |
| C33 | N28 | C27 | H24 | 83.3° | 175.4° |
| C33 | N28 | C27 | H25 | 158.5° | 64.2° |
| C35 | C25 | C34 | C24 | 100.7° | 97.8° |
| C35 | C25 | C34 | C33 | 174.9° | 171.3° |
| C25 | C35 | C23 | H15 | 117.1° | 114.5° |
| C25 | C35 | C23 | H16 | 117.1° | 114.6° |
| C35 | C25 | C24 | C23 | 10.2° | 25.2° |
| C25 | C35 | C23 | O22 | 126.6° | 89.4° |
| C35 | C25 | C34 | H13 | 64.4° | 51.4° |
| C35 | C25 | C34 | H14 | 54.1° | 68.8° |
| C25 | C35 | H15 | H16 | 128.0° | 131.3° |
| C25 | C35 | C23 | H19 | 102.5° | 139.8° |
| C35 | C25 | C24 | H20 | 106.5° | 89.3° |
| C35 | C25 | C24 | H21 | 127.0° | 139.8° |
| C35 | C25 | C26 | H22 | 69.1° | 68.7° |
| C35 | C25 | C26 | H23 | 50.0° | 51.3° |
| C25 | C34 | C33 | H13 | 120.7° | 120.0° |
| C25 | C34 | C33 | H14 | 120.7° | 119.9° |
| C34 | C25 | C35 | C23 | 109.8° | 139.8° |
| C34 | C25 | C24 | C23 | 105.1° | 139.8° |
| C25 | C34 | C33 | H11 | 80.3° | 67.3° |
| C25 | C34 | C33 | H12 | 162.1° | 172.3° |
| C25 | C34 | H13 | H14 | 117.8° | 120.2° |
| C34 | C25 | C35 | H15 | 7.3° | 105.7° |
| C34 | C25 | C35 | H16 | 133.2° | 25.2° |
| C34 | C25 | C24 | H20 | 138.2° | 25.2° |
| C34 | C25 | C24 | H21 | 11.7° | 105.7° |
| C34 | C25 | C26 | H22 | 59.5° | 62.3° |
| C34 | C25 | C26 | H23 | 178.5° | 177.6° |
| C24 | C25 | C34 | C33 | 74.2° | 73.6° |
| C25 | C24 | C23 | H20 | 116.8° | 114.5° |
| C25 | C24 | C23 | H21 | 116.7° | 114.7° |
| C25 | C24 | C23 | O22 | 123.1° | 89.4° |
| C24 | C25 | C34 | H13 | 165.1° | 46.4° |
| C24 | C25 | C34 | H14 | 46.6° | 166.6° |
| C24 | C25 | C35 | H15 | 127.3° | 139.8° |
| C24 | C25 | C35 | H16 | 106.8° | 89.3° |
| C25 | C24 | C23 | H19 | 102.7° | 139.7° |
| C25 | C24 | H20 | H21 | 128.7° | 131.3° |
| C24 | C25 | C26 | H22 | 169.6° | 166.5° |
| C24 | C25 | C26 | H23 | 50.6° | 46.4° |
| C05 | C04 | N03 | C09 | 121.6° | 120.0° |
| C05 | C04 | N03 | H26 | 118.5° | 120.0° |
| C05 | C04 | N03 | C02 | 163.0° | 88.3° |
| C05 | C04 | C09 | H26 | 118.0° | 119.9° |
| C05 | C04 | C09 | O21 | 71.1° | 96.7° |
| C05 | C04 | C09 | N10 | 108.9° | 83.3° |
| C04 | C05 | H27 | H28 | 118.4° | 120.0° |
| C04 | C05 | C06 | H29 | 52.0° | 55.3° |
| C05 | C04 | N03 | H37 | 17.0° | 91.7° |
| C34 | C33 | H11 | H12 | 116.2° | 120.3° |
| C33 | C34 | H13 | H14 | 117.8° | 120.1° |
| C35 | C23 | C24 | O22 | 113.1° | 114.6° |
| C35 | C23 | C24 | H19 | 112.7° | 114.6° |
| C35 | C23 | O22 | H19 | 129.6° | 131.1° |
| C35 | C23 | O22 | C02 | 72.6° | 150.0° |
| C23 | C35 | H15 | H16 | 128.0° | 131.3° |
| C35 | C23 | C24 | H20 | 106.8° | 89.3° |
| C35 | C23 | C24 | H21 | 126.7° | 139.8° |
| C24 | C23 | O22 | H19 | 133.1° | 131.3° |
| C24 | C23 | O22 | C02 | 169.9° | 112.4° |
| C24 | C23 | C35 | H15 | 127.4° | 139.7° |
| C24 | C23 | C35 | H16 | 106.8° | 89.4° |
| C23 | C24 | H20 | H21 | 128.8° | 131.3° |
| C04 | N03 | C02 | H37 | 180.0° | 180.0° |
| C04 | N03 | C02 | O22 | 170.8° | 175.0° |
| N03 | C04 | C09 | H26 | 120.6° | 120.1° |
| C04 | N03 | C02 | O01 | 8.9° | 5.0° |
| N03 | C04 | C09 | O21 | 50.3° | 23.4° |
| N03 | C04 | C09 | N10 | 129.7° | 156.7° |
| N03 | C04 | C05 | H27 | 175.4° | 60.0° |
| N03 | C04 | C05 | H28 | 56.4° | 60.0° |
| N03 | C02 | O22 | C23 | 160.1° | 180.0° |
| N03 | C02 | O22 | O01 | 179.7° | 180.0° |
| C02 | N03 | C04 | C09 | 75.3° | 151.7° |
| C02 | N03 | C04 | H26 | 44.5° | 31.7° |
| C23 | O22 | C02 | O01 | 20.2° | 0.0° |
| O22 | C23 | C35 | H15 | 116.3° | 25.1° |
| O22 | C23 | C35 | H16 | 9.6° | 156.0° |
| O22 | C23 | C24 | H20 | 6.3° | 156.0° |
| O22 | C23 | C24 | H21 | 120.2° | 25.2° |
| C02 | O22 | C23 | H19 | 57.0° | 18.8° |
| O22 | C02 | N03 | H37 | 9.2° | 5.0° |
| C04 | C09 | O21 | N10 | 180.0° | 180.0° |
| C04 | C09 | N10 | C11 | 179.6° | 176.3° |
| C09 | C04 | C05 | H27 | 52.7° | 179.9° |
| C09 | C04 | C05 | H28 | 66.3° | 60.1° |
| C09 | C04 | N03 | H37 | 104.7° | 28.3° |
| C04 | C09 | N10 | H38 | 0.4° | 3.6° |
| O01 | C02 | N03 | H37 | 171.1° | 174.9° |
| O21 | C09 | N10 | C11 | 0.4° | 3.7° |
| O21 | C09 | C04 | H26 | 170.9° | 143.4° |
| O21 | C09 | N10 | H38 | 179.6° | 176.4° |
| C09 | N10 | C11 | H38 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 105.4° | 92.0° |
| C09 | N10 | C11 | C12 | 131.8° | 148.0° |
| N10 | C09 | C04 | H26 | 9.1° | 36.6° |
| C09 | N10 | C11 | H36 | 12.7° | 28.0° |
| N10 | C11 | C19 | C12 | 121.3° | 120.0° |
| N10 | C11 | C19 | H36 | 119.0° | 120.0° |
| N10 | C11 | C12 | H36 | 120.1° | 120.0° |
| N10 | C11 | C19 | O20 | 175.5° | 54.1° |
| N10 | C11 | C12 | C13 | 66.7° | 60.0° |
| N10 | C11 | C19 | H6 | 46.7° | 65.9° |
| N10 | C11 | C12 | H17 | 53.8° | 180.0° |
| N10 | C11 | C12 | H18 | 172.8° | 60.0° |
| N10 | C11 | C19 | S1 | 50.7° | 174.1° |
| C19 | C11 | C12 | H36 | 119.9° | 120.0° |
| C11 | C19 | O20 | H6 | 127.6° | 120.0° |
| C11 | C19 | O20 | S1 | 122.8° | 120.0° |
| C19 | C11 | C12 | C13 | 173.3° | 180.0° |
| C11 | C19 | H6 | S1 | 105.4° | 120.0° |
| C19 | C11 | C12 | H17 | 66.2° | 60.1° |
| C19 | C11 | C12 | H18 | 52.8° | 60.0° |
| C19 | C11 | N10 | H38 | 74.6° | 88.1° |
| C11 | C19 | O20 | H40 | 180.0° | 60.0° |
| C11 | C19 | S1 | O2 | 90.0° | 43.5° |
| C11 | C19 | S1 | O3 | 90.0° | 68.1° |
| C11 | C19 | S1 | O1 | 90.0° | 179.7° |
| C12 | C11 | C19 | O20 | 63.2° | 174.0° |
| C11 | C12 | C13 | H17 | 120.5° | 119.9° |
| C11 | C12 | C13 | H18 | 120.5° | 120.0° |
| C11 | C12 | C13 | C17 | 66.1° | 64.0° |
| C11 | C12 | C13 | C14 | 177.2° | 178.8° |
| C11 | C12 | C13 | H1 | 56.4° | 58.6° |
| C12 | C11 | C19 | H6 | 168.1° | 54.1° |
| C11 | C12 | H17 | H18 | 118.3° | 120.0° |
| C12 | C11 | N10 | H38 | 48.2° | 31.9° |
| C12 | C11 | C19 | S1 | 70.6° | 65.9° |
| O20 | C19 | H6 | S1 | 128.2° | 120.0° |
| O20 | C19 | C11 | H36 | 56.5° | 65.9° |
| O20 | C19 | S1 | O2 | 90.0° | 76.5° |
| O20 | C19 | S1 | O3 | 90.0° | 171.9° |
| O20 | C19 | S1 | O1 | 90.0° | 60.3° |
| C12 | C13 | C17 | C14 | 120.5° | 118.7° |
| C12 | C13 | C17 | H1 | 122.7° | 122.6° |
| C12 | C13 | C14 | H1 | 121.0° | 122.6° |
| C12 | C13 | C17 | C16 | 142.1° | 143.5° |
| C12 | C13 | C14 | O18 | 44.5° | 45.1° |
| C12 | C13 | C14 | N15 | 135.5° | 135.0° |
| C12 | C13 | C17 | H4 | 22.7° | 25.4° |
| C12 | C13 | C17 | H5 | 98.5° | 98.4° |
| C13 | C12 | H17 | H18 | 118.4° | 120.0° |
| C13 | C12 | C11 | H36 | 53.4° | 60.0° |
| C17 | C13 | C14 | H1 | 116.9° | 118.7° |
| C13 | C17 | C16 | H4 | 119.4° | 118.1° |
| C13 | C17 | C16 | H5 | 119.4° | 118.1° |
| C17 | C13 | C14 | O18 | 166.6° | 163.8° |
| C17 | C13 | C14 | N15 | 13.4° | 16.3° |
| C13 | C17 | C16 | N15 | 21.8° | 25.4° |
| C13 | C17 | C16 | H2 | 141.0° | 144.4° |
| C13 | C17 | C16 | H3 | 97.3° | 93.6° |
| C13 | C17 | H4 | H5 | 121.7° | 123.8° |
| C17 | C13 | C12 | H17 | 173.4° | 56.0° |
| C17 | C13 | C12 | H18 | 54.4° | 176.0° |
| C14 | C13 | C17 | C16 | 21.7° | 24.8° |
| C13 | C14 | O18 | N15 | 180.0° | 179.9° |
| C13 | C14 | N15 | C16 | 0.4° | 0.4° |
| C14 | C13 | C17 | H4 | 97.7° | 93.3° |
| C14 | C13 | C17 | H5 | 141.1° | 142.9° |
| C14 | C13 | C12 | H17 | 56.7° | 58.8° |
| C14 | C13 | C12 | H18 | 62.3° | 61.2° |
| C13 | C14 | N15 | H39 | 179.6° | 179.6° |
| C17 | C16 | N15 | C14 | 14.3° | 17.0° |
| C17 | C16 | N15 | H2 | 119.2° | 119.0° |
| C17 | C16 | N15 | H3 | 119.1° | 119.1° |
| C16 | C17 | C13 | H1 | 95.2° | 93.9° |
| C17 | C16 | H2 | H3 | 122.4° | 122.0° |
| C16 | C17 | H4 | H5 | 121.7° | 123.8° |
| C17 | C16 | N15 | H39 | 165.8° | 163.0° |
| O18 | C14 | N15 | C16 | 179.6° | 179.6° |
| O18 | C14 | C13 | H1 | 76.6° | 77.5° |
| O18 | C14 | N15 | H39 | 0.4° | 0.5° |
| C14 | N15 | C16 | H39 | 180.0° | 179.9° |
| N15 | C14 | C13 | H1 | 103.5° | 102.4° |
| C14 | N15 | C16 | H2 | 133.4° | 136.0° |
| C14 | N15 | C16 | H3 | 104.9° | 102.1° |
| N15 | C16 | H2 | H3 | 122.4° | 121.9° |
| N15 | C16 | C17 | H4 | 97.6° | 92.7° |
| N15 | C16 | C17 | H5 | 141.3° | 143.5° |
| H1 | C13 | C17 | H4 | 145.4° | 148.0° |
| H1 | C13 | C17 | H5 | 24.2° | 24.2° |
| H1 | C13 | C12 | H17 | 64.1° | 178.5° |
| H1 | C13 | C12 | H18 | 176.9° | 61.4° |
| H2 | C16 | C17 | H4 | 21.6° | 26.3° |
| H2 | C16 | C17 | H5 | 99.6° | 97.5° |
| H2 | C16 | N15 | H39 | 46.6° | 43.9° |
| H3 | C16 | C17 | H4 | 143.3° | 148.3° |
| H3 | C16 | C17 | H5 | 22.1° | 24.5° |
| H3 | C16 | N15 | H39 | 75.1° | 77.9° |
| H6 | C19 | C11 | H36 | 72.3° | 174.1° |
| H6 | C19 | O20 | H40 | 52.4° | 60.0° |
| H6 | C19 | S1 | O2 | 90.0° | 163.4° |
| H6 | C19 | S1 | O3 | 90.0° | 51.9° |
| H6 | C19 | S1 | O1 | 90.0° | 59.7° |
| H8 | C31 | H9 | H10 | 120.0° | 119.9° |
| H11 | C33 | C34 | H13 | 159.0° | 52.7° |
| H11 | C33 | C34 | H14 | 40.4° | 172.8° |
| H12 | C33 | C34 | H13 | 41.4° | 67.7° |
| H12 | C33 | C34 | H14 | 77.1° | 52.4° |
| H15 | C35 | C23 | H19 | 14.6° | 105.7° |
| H16 | C35 | C23 | H19 | 140.5° | 25.3° |
| H17 | C12 | C11 | H36 | 173.9° | 60.0° |
| H18 | C12 | C11 | H36 | 67.1° | 180.0° |
| H19 | C23 | C24 | H20 | 140.5° | 25.2° |
| H19 | C23 | C24 | H21 | 14.1° | 105.6° |
| H22 | C26 | C27 | H24 | 174.0° | 52.4° |
| H22 | C26 | C27 | H25 | 55.7° | 172.8° |
| H23 | C26 | C27 | H24 | 55.0° | 67.7° |
| H23 | C26 | C27 | H25 | 63.3° | 52.7° |
| H26 | C04 | C05 | H27 | 65.3° | 60.0° |
| H26 | C04 | C05 | H28 | 175.7° | 180.0° |
| H26 | C04 | N03 | H37 | 135.5° | 148.3° |
| H27 | C05 | C06 | H29 | 172.5° | 175.3° |
| H28 | C05 | C06 | H29 | 68.5° | 64.7° |
| H29 | C06 | C07 | H30 | 62.7° | 176.1° |
| H29 | C06 | C07 | H31 | 177.3° | 56.1° |
| H29 | C06 | C07 | H32 | 57.3° | 63.9° |
| H29 | C06 | C08 | H33 | 62.8° | 60.0° |
| H29 | C06 | C08 | H34 | 57.2° | 60.0° |
| H29 | C06 | C08 | H35 | 177.2° | 180.0° |
| H30 | C07 | H31 | H32 | 120.0° | 119.9° |
| H33 | C08 | H34 | H35 | 120.0° | 120.1° |
| H36 | C11 | N10 | H38 | 167.2° | 151.9° |
| H36 | C11 | C19 | S1 | 169.7° | 54.1° |
| H40 | O20 | C19 | S1 | 57.2° | 179.9° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O1 | 90.0° | 131.6° |
| C19 | S1 | O3 | O1 | 90.0° | 116.1° |
| C19 | S1 | O3 | H7 | 90.0° | 180.0° |
| O2 | S1 | O3 | O1 | 90.0° | 127.8° |
| O2 | S1 | O3 | H7 | 90.0° | 64.0° |
| O1 | S1 | O3 | H7 | 90.0° | 63.9° |
