FV5
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 | 1.53Å | |
| 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 | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C23 | sing | 1.54Å | 1.55Å | |
| C24 | C23 | sing | 1.54Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.42Å | |
| N03 | C02 | sing | 1.35Å | 1.36Å | |
| O22 | C23 | sing | 1.45Å | 1.39Å | |
| O22 | C02 | sing | 1.35Å | 1.37Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| C09 | O21 | doub | 1.21Å | 1.23Å | |
| C09 | N10 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.46Å | 1.44Å | |
| O20 | C19 | sing | 1.43Å | 1.42Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | 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 | 21.52Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O3 | H6 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | S29 | O30 | 109.2° | 110.5° |
| C31 | S29 | N28 | 108.0° | 104.5° |
| C31 | S29 | O32 | 108.7° | 110.6° |
| S29 | C31 | H14 | 109.5° | 109.5° |
| S29 | C31 | H15 | 109.4° | 109.5° |
| S29 | C31 | H16 | 109.5° | 109.5° |
| C07 | C06 | C08 | 110.5° | 109.5° |
| C07 | C06 | C05 | 112.4° | 109.4° |
| C07 | C06 | H20 | 107.4° | 109.5° |
| C06 | C07 | H21 | 109.5° | 109.4° |
| C06 | C07 | H22 | 109.5° | 109.5° |
| C06 | C07 | H23 | 109.5° | 109.5° |
| C26 | C27 | N28 | 115.1° | 108.8° |
| C27 | C26 | C25 | 112.8° | 109.1° |
| C27 | C26 | H10 | 108.6° | 109.5° |
| C27 | C26 | H11 | 108.6° | 109.6° |
| C26 | C27 | H12 | 108.1° | 109.5° |
| C26 | C27 | H13 | 108.0° | 109.6° |
| C27 | N28 | S29 | 120.9° | 120.6° |
| C27 | N28 | C33 | 113.5° | 119.0° |
| N28 | C27 | H12 | 108.0° | 109.5° |
| N28 | C27 | H13 | 108.1° | 109.6° |
| O30 | S29 | N28 | 107.3° | 104.2° |
| O30 | S29 | O32 | 116.9° | 121.0° |
| N28 | S29 | O32 | 106.4° | 104.3° |
| S29 | N28 | C33 | 120.2° | 120.5° |
| C26 | C25 | C35 | 118.5° | 113.5° |
| C26 | C25 | C34 | 106.4° | 113.0° |
| C26 | C25 | C24 | 112.5° | 113.5° |
| C25 | C26 | H10 | 108.6° | 109.5° |
| C25 | C26 | H11 | 108.6° | 109.5° |
| C08 | C06 | C05 | 111.2° | 109.5° |
| C08 | C06 | H20 | 107.4° | 109.5° |
| C06 | C08 | H24 | 109.5° | 109.4° |
| C06 | C08 | H25 | 109.5° | 109.5° |
| C06 | C08 | H26 | 109.5° | 109.5° |
| C06 | C05 | C04 | 112.5° | 109.5° |
| C06 | C05 | H18 | 108.7° | 109.5° |
| C06 | C05 | H19 | 108.7° | 109.5° |
| C05 | C06 | H20 | 107.6° | 109.5° |
| N28 | C33 | C34 | 117.5° | 108.8° |
| N28 | C33 | H31 | 107.4° | 109.6° |
| N28 | C33 | H32 | 107.4° | 109.7° |
| C35 | C25 | C34 | 113.0° | 113.5° |
| C35 | C25 | C24 | 88.0° | 87.5° |
| C25 | C35 | C23 | 92.4° | 87.0° |
| C25 | C35 | H35 | 113.6° | 113.6° |
| C25 | C35 | H36 | 113.6° | 113.7° |
| C34 | C25 | C24 | 118.1° | 113.5° |
| C25 | C34 | C33 | 114.4° | 109.1° |
| C25 | C34 | H33 | 108.2° | 109.5° |
| C25 | C34 | H34 | 108.2° | 109.5° |
| C25 | C24 | C23 | 90.8° | 87.0° |
| C25 | C24 | H8 | 113.9° | 113.7° |
| C25 | C24 | H9 | 113.9° | 113.7° |
| C05 | C04 | N03 | 108.6° | 109.5° |
| C05 | C04 | C09 | 111.7° | 109.5° |
| C05 | C04 | H17 | 108.0° | 109.5° |
| C04 | C05 | H18 | 108.7° | 109.4° |
| C04 | C05 | H19 | 108.7° | 109.5° |
| C34 | C33 | H31 | 107.4° | 109.6° |
| C34 | C33 | H32 | 107.4° | 109.6° |
| C33 | C34 | H33 | 108.2° | 109.5° |
| C33 | C34 | H34 | 108.2° | 109.6° |
| C35 | C23 | C24 | 86.9° | 87.2° |
| C35 | C23 | O22 | 112.0° | 113.7° |
| C35 | C23 | H7 | 112.2° | 113.6° |
| C23 | C35 | H35 | 113.6° | 113.6° |
| C23 | C35 | H36 | 113.6° | 113.6° |
| C24 | C23 | O22 | 115.4° | 113.6° |
| C24 | C23 | H7 | 112.2° | 113.5° |
| C23 | C24 | H8 | 113.9° | 113.6° |
| C23 | C24 | H9 | 113.9° | 113.6° |
| C04 | N03 | C02 | 120.0° | 120.0° |
| N03 | C04 | C09 | 110.9° | 109.4° |
| N03 | C04 | H17 | 109.6° | 109.5° |
| C04 | N03 | H37 | 120.0° | 120.0° |
| N03 | C02 | O22 | 113.6° | 120.0° |
| N03 | C02 | O01 | 124.7° | 120.0° |
| C02 | N03 | H37 | 120.0° | 120.0° |
| C23 | O22 | C02 | 116.7° | 117.0° |
| O22 | C23 | H7 | 114.9° | 112.8° |
| O22 | C02 | O01 | 121.8° | 120.0° |
| C04 | C09 | O21 | 119.6° | 120.0° |
| C04 | C09 | N10 | 120.5° | 120.0° |
| C09 | C04 | H17 | 108.0° | 109.4° |
| O21 | C09 | N10 | 119.9° | 120.0° |
| C09 | N10 | C11 | 124.9° | 120.0° |
| C09 | N10 | H38 | 117.6° | 119.9° |
| N10 | C11 | C19 | 107.8° | 109.5° |
| N10 | C11 | C12 | 110.6° | 109.5° |
| N10 | C11 | H27 | 109.9° | 109.5° |
| C11 | N10 | H38 | 117.5° | 120.0° |
| O20 | C19 | C11 | 107.5° | 109.5° |
| O20 | C19 | H5 | 122.2° | 109.5° |
| C19 | O20 | H40 | 109.5° | 114.1° |
| O20 | C19 | S1 | 108.6° | 109.5° |
| C19 | C11 | C12 | 111.4° | 109.5° |
| C11 | C19 | H5 | 119.5° | 109.5° |
| C19 | C11 | H27 | 108.7° | 109.5° |
| C11 | C19 | S1 | 103.5° | 109.4° |
| C11 | C12 | C13 | 114.0° | 109.4° |
| C11 | C12 | H1 | 108.3° | 109.4° |
| C11 | C12 | H2 | 108.4° | 109.4° |
| C12 | C11 | H27 | 108.3° | 109.5° |
| C12 | C13 | C17 | 113.2° | 110.4° |
| C12 | C13 | C14 | 110.4° | 110.5° |
| C13 | C12 | H1 | 108.4° | 109.5° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C12 | C13 | H28 | 109.7° | 110.5° |
| C17 | C13 | C14 | 104.6° | 104.2° |
| C13 | C17 | C16 | 106.2° | 101.8° |
| C17 | C13 | H28 | 109.4° | 110.6° |
| C13 | C17 | H29 | 110.3° | 111.0° |
| C13 | C17 | H30 | 110.3° | 111.0° |
| C13 | C14 | O18 | 128.7° | 124.9° |
| C13 | C14 | N15 | 107.3° | 110.1° |
| C14 | C13 | H28 | 109.4° | 110.5° |
| C17 | C16 | N15 | 104.8° | 105.3° |
| C17 | C16 | H3 | 110.6° | 110.6° |
| C17 | C16 | H4 | 110.6° | 110.0° |
| C16 | C17 | H29 | 110.3° | 110.9° |
| C16 | C17 | H30 | 110.3° | 111.0° |
| O18 | C14 | N15 | 124.1° | 125.0° |
| C14 | N15 | C16 | 113.7° | 111.4° |
| C14 | N15 | H39 | 123.1° | 124.4° |
| N15 | C16 | H3 | 110.6° | 110.2° |
| N15 | C16 | H4 | 110.6° | 110.2° |
| C16 | N15 | H39 | 123.1° | 124.3° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H3 | C16 | H4 | 109.4° | 110.3° |
| H5 | C19 | S1 | 92.0° | 109.5° |
| H8 | C24 | H9 | 109.5° | 112.8° |
| H10 | C26 | H11 | 109.5° | 109.6° |
| H12 | C27 | H13 | 109.5° | 109.7° |
| H14 | C31 | H15 | 109.5° | 109.4° |
| H14 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.4° | 109.4° |
| H21 | C07 | H22 | 109.4° | 109.4° |
| H21 | C07 | H23 | 109.5° | 109.5° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H24 | C08 | H25 | 109.5° | 109.5° |
| H24 | C08 | H26 | 109.5° | 109.5° |
| H25 | C08 | H26 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 110.9° |
| H31 | C33 | H32 | 109.5° | 109.6° |
| H33 | C34 | H34 | 109.5° | 109.6° |
| H35 | C35 | H36 | 109.5° | 113.0° |
| C19 | S1 | O1 | 90.0° | 110.6° |
| C19 | S1 | O2 | 90.0° | 110.5° |
| C19 | S1 | O3 | 90.0° | 104.4° |
| O1 | S1 | O2 | 90.0° | 121.1° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H6 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | S29 | N28 | C27 | 43.0° | 90.0° |
| C31 | S29 | O30 | N28 | 116.8° | 111.7° |
| C31 | S29 | O30 | O32 | 123.8° | 131.5° |
| C31 | S29 | N28 | O32 | 116.5° | 116.1° |
| C31 | S29 | N28 | C33 | 164.8° | 90.0° |
| S29 | C31 | H14 | H15 | 120.0° | 120.0° |
| S29 | C31 | H14 | H16 | 120.0° | 120.0° |
| S29 | C31 | H15 | H16 | 120.0° | 120.0° |
| C07 | C06 | C08 | C05 | 125.5° | 119.9° |
| C07 | C06 | C08 | H20 | 116.9° | 120.0° |
| C07 | C06 | C05 | H20 | 118.1° | 120.0° |
| C07 | C06 | C05 | C04 | 169.4° | 66.2° |
| C07 | C06 | C05 | H18 | 70.2° | 53.8° |
| C07 | C06 | C05 | H19 | 48.9° | 173.7° |
| C06 | C07 | H21 | H22 | 120.0° | 119.9° |
| C06 | C07 | H21 | H23 | 120.0° | 120.0° |
| C06 | C07 | H22 | H23 | 120.0° | 120.0° |
| C07 | C06 | C08 | H24 | 180.0° | 180.0° |
| C07 | C06 | C08 | H25 | 60.0° | 60.0° |
| C07 | C06 | C08 | H26 | 60.0° | 60.0° |
| C26 | C27 | N28 | H12 | 120.9° | 119.7° |
| C26 | C27 | N28 | H13 | 120.8° | 119.8° |
| C26 | C27 | N28 | S29 | 165.4° | 124.5° |
| C27 | C26 | C25 | H10 | 120.5° | 119.9° |
| C27 | C26 | C25 | H11 | 120.5° | 120.0° |
| C26 | C27 | N28 | C33 | 40.7° | 55.5° |
| C27 | C26 | C25 | C35 | 171.6° | 73.2° |
| C27 | C26 | C25 | C34 | 59.7° | 57.8° |
| C27 | C26 | C25 | C24 | 71.1° | 171.1° |
| C27 | C26 | H10 | H11 | 118.5° | 120.3° |
| C26 | C27 | H12 | H13 | 117.4° | 120.3° |
| C27 | N28 | S29 | O30 | 160.6° | 26.1° |
| C27 | N28 | S29 | C33 | 152.2° | 180.0° |
| C27 | N28 | S29 | O32 | 73.5° | 153.9° |
| N28 | C27 | C26 | C25 | 56.2° | 52.6° |
| C27 | N28 | C33 | C34 | 34.0° | 55.5° |
| N28 | C27 | C26 | H10 | 64.3° | 172.5° |
| N28 | C27 | C26 | H11 | 176.7° | 67.3° |
| N28 | C27 | H12 | H13 | 117.5° | 120.4° |
| C27 | N28 | C33 | H31 | 87.1° | 64.3° |
| C27 | N28 | C33 | H32 | 155.2° | 175.3° |
| O30 | S29 | N28 | O32 | 125.9° | 127.8° |
| O30 | S29 | N28 | C33 | 47.2° | 153.9° |
| O30 | S29 | C31 | H14 | 180.0° | 51.6° |
| O30 | S29 | C31 | H15 | 60.0° | 171.6° |
| O30 | S29 | C31 | H16 | 60.0° | 68.3° |
| S29 | N28 | C33 | C34 | 171.9° | 124.5° |
| S29 | N28 | C27 | H12 | 73.8° | 4.7° |
| S29 | N28 | C27 | H13 | 44.6° | 115.7° |
| N28 | S29 | C31 | H14 | 63.6° | 59.9° |
| N28 | S29 | C31 | H15 | 56.4° | 60.0° |
| N28 | S29 | C31 | H16 | 176.4° | 179.9° |
| S29 | N28 | C33 | H31 | 67.0° | 115.7° |
| S29 | N28 | C33 | H32 | 50.7° | 4.7° |
| O32 | S29 | N28 | C33 | 78.7° | 26.1° |
| O32 | S29 | C31 | H14 | 51.4° | 171.6° |
| O32 | S29 | C31 | H15 | 171.4° | 51.6° |
| O32 | S29 | C31 | H16 | 68.6° | 68.4° |
| C26 | C25 | C35 | C34 | 125.5° | 130.8° |
| C26 | C25 | C35 | C24 | 114.7° | 114.6° |
| C26 | C25 | C34 | C24 | 127.6° | 131.2° |
| C26 | C25 | C34 | C33 | 52.4° | 57.8° |
| C26 | C25 | C35 | C23 | 124.9° | 139.8° |
| C26 | C25 | C24 | C23 | 130.5° | 139.8° |
| C26 | C25 | C24 | H8 | 13.8° | 105.7° |
| C26 | C25 | C24 | H9 | 112.8° | 25.2° |
| C25 | C26 | H10 | H11 | 118.4° | 120.1° |
| C25 | C26 | C27 | H12 | 64.6° | 172.3° |
| C25 | C26 | C27 | H13 | 177.0° | 67.3° |
| C26 | C25 | C34 | H33 | 68.3° | 177.7° |
| C26 | C25 | C34 | H34 | 173.1° | 62.1° |
| C26 | C25 | C35 | H35 | 118.0° | 25.3° |
| C26 | C25 | C35 | H36 | 7.9° | 105.7° |
| C08 | C06 | C05 | H20 | 117.4° | 120.0° |
| C08 | C06 | C05 | C04 | 66.1° | 173.8° |
| C08 | C06 | C05 | H18 | 54.3° | 66.2° |
| C08 | C06 | C05 | H19 | 173.4° | 53.8° |
| C08 | C06 | C07 | H21 | 180.0° | 61.4° |
| C08 | C06 | C07 | H22 | 60.0° | 178.6° |
| C08 | C06 | C07 | H23 | 60.0° | 58.5° |
| C06 | C08 | H24 | H25 | 120.0° | 120.0° |
| C06 | C08 | H24 | H26 | 120.0° | 120.0° |
| C06 | C08 | H25 | H26 | 120.0° | 120.0° |
| C06 | C05 | C04 | H18 | 120.4° | 120.1° |
| C06 | C05 | C04 | H19 | 120.5° | 120.0° |
| C06 | C05 | C04 | N03 | 60.2° | 168.9° |
| C06 | C05 | C04 | C09 | 177.1° | 71.1° |
| C06 | C05 | C04 | H17 | 58.6° | 48.9° |
| C06 | C05 | H18 | H19 | 118.6° | 120.0° |
| C05 | C06 | C07 | H21 | 55.1° | 178.6° |
| C05 | C06 | C07 | H22 | 64.9° | 58.7° |
| C05 | C06 | C07 | H23 | 175.2° | 61.4° |
| C05 | C06 | C08 | H24 | 54.5° | 60.0° |
| C05 | C06 | C08 | H25 | 174.5° | 180.0° |
| C05 | C06 | C08 | H26 | 65.5° | 59.9° |
| N28 | C33 | C34 | C25 | 42.3° | 52.6° |
| N28 | C33 | C34 | H31 | 121.2° | 119.8° |
| N28 | C33 | C34 | H32 | 121.2° | 119.9° |
| C33 | N28 | C27 | H12 | 80.1° | 175.2° |
| C33 | N28 | C27 | H13 | 161.5° | 64.3° |
| N28 | C33 | H31 | H32 | 116.4° | 120.4° |
| N28 | C33 | C34 | H33 | 78.4° | 172.4° |
| N28 | C33 | C34 | H34 | 163.0° | 67.4° |
| C35 | C25 | C34 | C24 | 100.6° | 97.9° |
| C35 | C25 | C34 | C33 | 175.8° | 73.2° |
| C25 | C35 | C23 | H35 | 117.1° | 114.5° |
| C25 | C35 | C23 | H36 | 117.0° | 114.5° |
| C35 | C25 | C24 | C23 | 10.3° | 25.2° |
| C25 | C35 | C23 | O22 | 126.6° | 139.7° |
| C25 | C35 | C23 | H7 | 102.4° | 89.4° |
| C35 | C25 | C24 | H8 | 106.4° | 139.7° |
| C35 | C25 | C24 | H9 | 127.0° | 89.3° |
| C35 | C25 | C26 | H10 | 67.8° | 46.7° |
| C35 | C25 | C26 | H11 | 51.2° | 166.8° |
| C35 | C25 | C34 | H33 | 63.5° | 46.7° |
| C35 | C25 | C34 | H34 | 55.1° | 166.9° |
| C25 | C35 | H35 | H36 | 128.1° | 131.4° |
| C25 | C34 | C33 | H33 | 120.7° | 119.9° |
| C25 | C34 | C33 | H34 | 120.7° | 119.9° |
| C34 | C25 | C35 | C23 | 109.6° | 89.4° |
| C34 | C25 | C24 | C23 | 104.8° | 89.3° |
| C34 | C25 | C24 | H8 | 138.5° | 25.2° |
| C34 | C25 | C24 | H9 | 11.9° | 156.1° |
| C34 | C25 | C26 | H10 | 60.8° | 177.6° |
| C34 | C25 | C26 | H11 | 179.8° | 62.2° |
| C25 | C34 | C33 | H31 | 78.9° | 67.3° |
| C25 | C34 | C33 | H32 | 163.4° | 172.4° |
| C25 | C34 | H33 | H34 | 117.7° | 120.2° |
| C34 | C25 | C35 | H35 | 7.5° | 156.1° |
| C34 | C25 | C35 | H36 | 133.4° | 25.1° |
| C24 | C25 | C34 | C33 | 75.2° | 171.1° |
| C25 | C24 | C23 | H8 | 116.7° | 114.5° |
| C25 | C24 | C23 | H9 | 116.7° | 114.6° |
| C25 | C24 | C23 | O22 | 123.0° | 139.8° |
| C25 | C24 | C23 | H7 | 102.7° | 89.5° |
| C25 | C24 | H8 | H9 | 128.8° | 131.4° |
| C24 | C25 | C26 | H10 | 168.3° | 51.2° |
| C24 | C25 | C26 | H11 | 49.3° | 69.0° |
| C24 | C25 | C34 | H33 | 164.1° | 51.2° |
| C24 | C25 | C34 | H34 | 45.5° | 69.0° |
| C24 | C25 | C35 | H35 | 127.3° | 89.3° |
| C24 | C25 | C35 | H36 | 106.7° | 139.7° |
| C05 | C04 | N03 | C09 | 123.1° | 120.0° |
| C05 | C04 | N03 | H17 | 117.8° | 120.0° |
| C05 | C04 | N03 | C02 | 167.0° | 87.1° |
| C05 | C04 | C09 | H17 | 118.6° | 120.0° |
| C05 | C04 | C09 | O21 | 88.4° | 105.6° |
| C05 | C04 | C09 | N10 | 92.0° | 74.3° |
| C04 | C05 | H18 | H19 | 118.6° | 120.0° |
| C04 | C05 | C06 | H20 | 51.3° | 53.8° |
| C05 | C04 | N03 | H37 | 13.0° | 92.8° |
| C34 | C33 | H31 | H32 | 116.3° | 120.3° |
| C33 | C34 | H33 | H34 | 117.8° | 120.2° |
| C35 | C23 | C24 | O22 | 113.0° | 114.7° |
| C35 | C23 | C24 | H7 | 112.7° | 114.6° |
| C35 | C23 | O22 | H7 | 129.5° | 131.3° |
| C35 | C23 | O22 | C02 | 73.0° | 110.9° |
| C35 | C23 | C24 | H8 | 106.7° | 139.7° |
| C35 | C23 | C24 | H9 | 126.8° | 89.5° |
| C23 | C35 | H35 | H36 | 128.1° | 131.3° |
| C24 | C23 | O22 | H7 | 133.1° | 131.1° |
| C24 | C23 | O22 | C02 | 170.4° | 151.5° |
| C23 | C24 | H8 | H9 | 128.8° | 131.2° |
| C24 | C23 | C35 | H35 | 127.4° | 89.4° |
| C24 | C23 | C35 | H36 | 106.7° | 139.7° |
| C04 | N03 | C02 | H37 | 180.0° | 179.9° |
| C04 | N03 | C02 | O22 | 167.5° | 175.4° |
| N03 | C04 | C09 | H17 | 120.1° | 120.0° |
| C04 | N03 | C02 | O01 | 12.2° | 4.7° |
| N03 | C04 | C09 | O21 | 32.9° | 14.4° |
| N03 | C04 | C09 | N10 | 146.7° | 165.7° |
| N03 | C04 | C05 | H18 | 179.3° | 48.9° |
| N03 | C04 | C05 | H19 | 60.2° | 71.1° |
| N03 | C02 | O22 | C23 | 159.7° | 180.0° |
| N03 | C02 | O22 | O01 | 179.7° | 179.9° |
| C02 | N03 | C04 | C09 | 69.9° | 152.9° |
| C02 | N03 | C04 | H17 | 49.2° | 33.0° |
| C23 | O22 | C02 | O01 | 20.6° | 0.0° |
| O22 | C23 | C24 | H8 | 6.3° | 105.6° |
| O22 | C23 | C24 | H9 | 120.2° | 25.2° |
| O22 | C23 | C35 | H35 | 116.3° | 25.2° |
| O22 | C23 | C35 | H36 | 9.6° | 105.8° |
| C02 | O22 | C23 | H7 | 56.6° | 20.4° |
| O22 | C02 | N03 | H37 | 12.5° | 4.7° |
| C04 | C09 | O21 | N10 | 179.6° | 179.9° |
| C04 | C09 | N10 | C11 | 179.8° | 174.0° |
| C09 | C04 | C05 | H18 | 56.7° | 168.9° |
| C09 | C04 | C05 | H19 | 62.4° | 48.9° |
| C09 | C04 | N03 | H37 | 110.1° | 27.2° |
| C04 | C09 | N10 | H38 | 0.2° | 5.9° |
| O01 | C02 | N03 | H37 | 167.8° | 175.2° |
| O21 | C09 | N10 | C11 | 0.6° | 6.1° |
| O21 | C09 | C04 | H17 | 153.0° | 134.4° |
| O21 | C09 | N10 | H38 | 179.4° | 174.0° |
| C09 | N10 | C11 | H38 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 125.2° | 85.0° |
| C09 | N10 | C11 | C12 | 112.7° | 155.0° |
| N10 | C09 | C04 | H17 | 26.6° | 45.7° |
| C09 | N10 | C11 | H27 | 6.8° | 35.0° |
| N10 | C11 | C19 | O20 | 64.8° | 65.0° |
| N10 | C11 | C19 | C12 | 121.6° | 120.0° |
| N10 | C11 | C19 | H27 | 119.1° | 120.0° |
| N10 | C11 | C12 | H27 | 120.6° | 120.0° |
| N10 | C11 | C12 | C13 | 67.2° | 65.0° |
| N10 | C11 | C12 | H1 | 53.5° | 55.0° |
| N10 | C11 | C12 | H2 | 172.1° | 175.0° |
| N10 | C11 | C19 | H5 | 150.2° | 175.0° |
| N10 | C11 | C19 | S1 | 50.0° | 55.0° |
| O20 | C19 | C11 | H5 | 145.0° | 120.1° |
| O20 | C19 | C11 | S1 | 114.8° | 120.0° |
| O20 | C19 | C11 | C12 | 173.6° | 175.0° |
| O20 | C19 | H5 | S1 | 113.5° | 120.0° |
| O20 | C19 | C11 | H27 | 54.4° | 55.0° |
| O20 | C19 | S1 | O1 | 90.0° | 171.6° |
| O20 | C19 | S1 | O2 | 90.0° | 51.6° |
| O20 | C19 | S1 | O3 | 90.0° | 60.1° |
| C19 | C11 | C12 | H27 | 119.5° | 120.0° |
| C19 | C11 | C12 | C13 | 172.8° | 175.0° |
| C19 | C11 | C12 | H1 | 66.5° | 65.0° |
| C19 | C11 | C12 | H2 | 52.1° | 55.0° |
| C11 | C19 | H5 | S1 | 106.7° | 120.0° |
| C19 | C11 | N10 | H38 | 54.8° | 95.0° |
| C11 | C19 | O20 | H40 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 90.0° | 68.4° |
| C11 | C19 | S1 | O2 | 90.0° | 68.4° |
| C11 | C19 | S1 | O3 | 90.0° | 180.0° |
| C11 | C12 | C13 | H1 | 120.7° | 120.0° |
| C11 | C12 | C13 | H2 | 120.7° | 119.9° |
| C11 | C12 | C13 | C17 | 65.8° | 175.0° |
| C11 | C12 | C13 | C14 | 177.4° | 70.3° |
| C11 | C12 | H1 | H2 | 117.9° | 120.0° |
| C12 | C11 | C19 | H5 | 28.6° | 55.0° |
| C11 | C12 | C13 | H28 | 56.7° | 52.3° |
| C12 | C11 | N10 | H38 | 67.3° | 25.0° |
| C12 | C11 | C19 | S1 | 71.6° | 65.0° |
| C12 | C13 | C17 | C14 | 120.2° | 118.7° |
| C12 | C13 | C17 | H28 | 122.7° | 122.7° |
| C12 | C13 | C14 | H28 | 120.8° | 122.6° |
| C12 | C13 | C17 | C16 | 137.8° | 93.9° |
| C12 | C13 | C14 | O18 | 47.4° | 77.6° |
| C12 | C13 | C14 | N15 | 132.8° | 102.6° |
| C13 | C12 | H1 | H2 | 117.9° | 120.1° |
| C13 | C12 | C11 | H27 | 53.3° | 55.0° |
| C12 | C13 | C17 | H29 | 18.3° | 148.0° |
| C12 | C13 | C17 | H30 | 102.7° | 24.3° |
| C17 | C13 | C14 | H28 | 117.1° | 118.8° |
| C13 | C17 | C16 | H29 | 119.5° | 118.1° |
| C13 | C17 | C16 | H30 | 119.5° | 118.2° |
| C17 | C13 | C14 | O18 | 169.4° | 163.8° |
| C17 | C13 | C14 | N15 | 10.8° | 16.0° |
| C13 | C17 | C16 | N15 | 17.9° | 25.6° |
| C17 | C13 | C12 | H1 | 173.5° | 65.0° |
| C17 | C13 | C12 | H2 | 54.9° | 55.1° |
| C13 | C17 | C16 | H3 | 137.2° | 93.5° |
| C13 | C17 | C16 | H4 | 101.4° | 144.4° |
| C13 | C17 | H29 | H30 | 121.5° | 123.8° |
| C14 | C13 | C17 | C16 | 17.6° | 24.8° |
| C13 | C14 | O18 | N15 | 179.8° | 179.7° |
| C13 | C14 | N15 | C16 | 0.6° | 0.8° |
| C14 | C13 | C12 | H1 | 56.7° | 49.7° |
| C14 | C13 | C12 | H2 | 62.0° | 169.8° |
| C14 | C13 | C17 | H29 | 101.9° | 93.3° |
| C14 | C13 | C17 | H30 | 137.1° | 142.9° |
| C13 | C14 | N15 | H39 | 179.4° | 179.4° |
| C17 | C16 | N15 | C14 | 11.8° | 17.4° |
| C17 | C16 | N15 | H3 | 119.3° | 119.3° |
| C17 | C16 | N15 | H4 | 119.3° | 118.7° |
| C17 | C16 | H3 | H4 | 122.1° | 121.9° |
| C16 | C17 | C13 | H28 | 99.5° | 143.5° |
| C16 | C17 | H29 | H30 | 121.5° | 123.8° |
| C17 | C16 | N15 | H39 | 168.2° | 162.8° |
| O18 | C14 | N15 | C16 | 179.3° | 179.4° |
| O18 | C14 | C13 | H28 | 73.5° | 45.0° |
| O18 | C14 | N15 | H39 | 0.7° | 0.4° |
| C14 | N15 | C16 | H39 | 180.0° | 179.8° |
| C14 | N15 | C16 | H3 | 131.1° | 101.9° |
| C14 | N15 | C16 | H4 | 107.5° | 136.0° |
| N15 | C14 | C13 | H28 | 106.4° | 134.8° |
| N15 | C16 | H3 | H4 | 122.1° | 122.0° |
| N15 | C16 | C17 | H29 | 101.6° | 92.5° |
| N15 | C16 | C17 | H30 | 137.4° | 143.8° |
| H1 | C12 | C11 | H27 | 174.0° | 175.0° |
| H1 | C12 | C13 | H28 | 64.0° | 172.3° |
| H2 | C12 | C11 | H27 | 67.4° | 65.0° |
| H2 | C12 | C13 | H28 | 177.4° | 67.6° |
| H3 | C16 | C17 | H29 | 17.7° | 148.4° |
| H3 | C16 | C17 | H30 | 103.3° | 24.7° |
| H3 | C16 | N15 | H39 | 48.9° | 77.9° |
| H4 | C16 | C17 | H29 | 139.2° | 26.3° |
| H4 | C16 | C17 | H30 | 18.1° | 97.4° |
| H4 | C16 | N15 | H39 | 72.6° | 44.1° |
| H5 | C19 | C11 | H27 | 90.7° | 65.0° |
| H5 | C19 | O20 | H40 | 36.1° | 180.0° |
| H5 | C19 | S1 | O1 | 90.0° | 51.6° |
| H5 | C19 | S1 | O2 | 90.0° | 171.6° |
| H5 | C19 | S1 | O3 | 90.0° | 60.0° |
| H7 | C23 | C24 | H8 | 140.6° | 25.1° |
| H7 | C23 | C24 | H9 | 14.1° | 155.9° |
| H7 | C23 | C35 | H35 | 14.7° | 156.1° |
| H7 | C23 | C35 | H36 | 140.6° | 25.2° |
| H10 | C26 | C27 | H12 | 174.8° | 67.8° |
| H10 | C26 | C27 | H13 | 56.5° | 52.6° |
| H11 | C26 | C27 | H12 | 55.8° | 52.4° |
| H11 | C26 | C27 | H13 | 62.5° | 172.8° |
| H14 | C31 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | C05 | H18 | 61.9° | 71.2° |
| H17 | C04 | C05 | H19 | 179.0° | 168.9° |
| H17 | C04 | N03 | H37 | 130.8° | 147.1° |
| H18 | C05 | C06 | H20 | 171.8° | 173.8° |
| H19 | C05 | C06 | H20 | 69.2° | 66.2° |
| H20 | C06 | C07 | H21 | 63.1° | 58.6° |
| H20 | C06 | C07 | H22 | 176.9° | 61.4° |
| H20 | C06 | C07 | H23 | 57.0° | 178.5° |
| H20 | C06 | C08 | H24 | 63.1° | 60.0° |
| H20 | C06 | C08 | H25 | 56.9° | 60.0° |
| H20 | C06 | C08 | H26 | 176.9° | 180.0° |
| H21 | C07 | H22 | H23 | 120.0° | 120.1° |
| H24 | C08 | H25 | H26 | 120.0° | 120.0° |
| H27 | C11 | N10 | H38 | 173.1° | 145.0° |
| H27 | C11 | C19 | S1 | 169.2° | 175.0° |
| H28 | C13 | C17 | H29 | 141.0° | 25.4° |
| H28 | C13 | C17 | H30 | 20.0° | 98.4° |
| H31 | C33 | C34 | H33 | 160.4° | 52.6° |
| H31 | C33 | C34 | H34 | 41.8° | 172.8° |
| H32 | C33 | C34 | H33 | 42.7° | 67.7° |
| H32 | C33 | C34 | H34 | 75.9° | 52.5° |
| H40 | O20 | C19 | S1 | 68.7° | 59.9° |
| C19 | S1 | O1 | O2 | 90.0° | 131.6° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H6 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H6 | 90.0° | 63.9° |
| O2 | S1 | O3 | H6 | 90.0° | 63.9° |
