PRD_900017
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C31 | sing | 1.43Å | 1.45Å | |
| O71 | C71 | doub | 1.21Å | 1.18Å | |
| C81 | C71 | sing | 1.51Å | 1.52Å | |
| C71 | N21 | sing | 1.35Å | 1.50Å | |
| C31 | C41 | sing | 1.53Å | 1.51Å | |
| C31 | C21 | sing | 1.53Å | 1.48Å | |
| O41 | C41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.53Å | |
| N21 | C21 | sing | 1.47Å | 1.50Å | |
| C21 | C11 | sing | 1.53Å | 1.53Å | |
| O61 | C61 | sing | 1.43Å | 1.41Å | |
| C51 | C61 | sing | 1.53Å | 1.50Å | |
| C51 | O51 | sing | 1.43Å | 1.48Å | |
| C11 | O51 | sing | 1.43Å | 1.51Å | |
| C11 | O42 | sing | 1.43Å | 1.36Å | |
| O42 | C42 | sing | 1.43Å | 1.46Å | |
| O32 | C32 | sing | 1.43Å | 1.46Å | |
| C42 | C32 | sing | 1.53Å | 1.49Å | |
| C42 | C52 | sing | 1.53Å | 1.52Å | |
| C32 | C22 | sing | 1.53Å | 1.50Å | |
| C62 | C52 | sing | 1.53Å | 1.50Å | |
| C62 | O62 | sing | 1.43Å | 1.43Å | |
| C52 | O52 | sing | 1.43Å | 1.48Å | |
| N22 | C22 | sing | 1.46Å | 1.49Å | |
| N22 | C72 | sing | 1.35Å | 1.48Å | |
| C22 | C12 | sing | 1.53Å | 1.52Å | |
| O52 | C12 | sing | 1.43Å | 1.50Å | |
| C12 | O43 | sing | 1.43Å | 1.40Å | |
| C82 | C72 | sing | 1.51Å | 1.52Å | |
| C72 | O72 | doub | 1.21Å | 1.18Å | |
| O63 | C63 | sing | 1.43Å | 1.43Å | |
| O43 | C43 | sing | 1.43Å | 1.47Å | |
| C63 | C53 | sing | 1.53Å | 1.50Å | |
| C43 | C53 | sing | 1.53Å | 1.53Å | |
| C43 | C33 | sing | 1.53Å | 1.50Å | |
| O33 | C33 | sing | 1.43Å | 1.45Å | |
| C53 | O53 | sing | 1.43Å | 1.46Å | |
| C33 | C23 | sing | 1.53Å | 1.49Å | |
| O53 | C13 | sing | 1.43Å | 1.49Å | |
| C23 | C13 | sing | 1.53Å | 1.52Å | |
| C23 | N23 | sing | 1.46Å | 1.49Å | |
| C13 | O13 | sing | 1.43Å | 1.37Å | |
| O73 | C73 | doub | 1.21Å | 1.20Å | |
| N23 | C73 | sing | 1.35Å | 1.47Å | |
| C73 | C83 | sing | 1.51Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N21 | HNL | sing | 0.97Å | 1.00Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HOV | sing | 0.97Å | 0.95Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | HO4 | sing | 0.97Å | 0.95Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| O61 | HO6 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N22 | HNM | sing | 0.97Å | 1.00Å | |
| C82 | H823 | sing | 1.09Å | 1.10Å | |
| C82 | H821 | sing | 1.09Å | 1.10Å | |
| C82 | H822 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O32 | HOW | sing | 0.97Å | 0.95Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| O62 | HO2 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | HOD | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N23 | HNN | sing | 0.97Å | 1.00Å | |
| C83 | H831 | sing | 1.09Å | 1.10Å | |
| C83 | H832 | sing | 1.09Å | 1.10Å | |
| C83 | H833 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | HOX | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| O63 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C31 | C41 | 108.8° | 109.6° |
| O31 | C31 | C21 | 108.8° | 109.5° |
| O31 | C31 | H31 | 109.2° | 109.6° |
| C31 | O31 | HOV | 109.5° | 113.9° |
| O71 | C71 | C81 | 119.9° | 120.0° |
| O71 | C71 | N21 | 119.8° | 120.0° |
| C81 | C71 | N21 | 120.3° | 120.0° |
| C71 | C81 | H812 | 109.5° | 109.4° |
| C71 | C81 | H813 | 109.5° | 109.5° |
| C71 | C81 | H811 | 109.5° | 109.4° |
| C71 | N21 | C21 | 120.0° | 120.0° |
| C71 | N21 | HNL | 120.0° | 120.0° |
| C41 | C31 | C21 | 112.9° | 109.0° |
| C31 | C41 | O41 | 108.4° | 109.5° |
| C31 | C41 | C51 | 112.5° | 109.1° |
| C41 | C31 | H31 | 108.3° | 109.6° |
| C31 | C41 | H41 | 108.9° | 109.6° |
| C31 | C21 | N21 | 108.9° | 109.6° |
| C31 | C21 | C11 | 111.6° | 109.1° |
| C31 | C21 | H21 | 109.3° | 109.5° |
| C21 | C31 | H31 | 108.7° | 109.6° |
| O41 | C41 | C51 | 108.4° | 109.5° |
| O41 | C41 | H41 | 110.1° | 109.6° |
| C41 | O41 | HO4 | 109.5° | 113.9° |
| C41 | C51 | C61 | 109.5° | 109.5° |
| C41 | C51 | O51 | 111.7° | 109.4° |
| C51 | C41 | H41 | 108.6° | 109.5° |
| C41 | C51 | H51 | 108.2° | 109.5° |
| N21 | C21 | C11 | 109.4° | 109.5° |
| N21 | C21 | H21 | 109.0° | 109.6° |
| C21 | N21 | HNL | 120.0° | 120.0° |
| C21 | C11 | O51 | 110.9° | 109.4° |
| C21 | C11 | O42 | 110.2° | 109.5° |
| C21 | C11 | H11 | 107.8° | 109.5° |
| C11 | C21 | H21 | 108.6° | 109.5° |
| O61 | C61 | C51 | 110.4° | 109.4° |
| O61 | C61 | H611 | 109.2° | 109.5° |
| O61 | C61 | H612 | 109.3° | 109.5° |
| C61 | O61 | HO6 | 109.5° | 113.9° |
| C61 | C51 | O51 | 109.7° | 109.5° |
| C61 | C51 | H51 | 108.6° | 109.5° |
| C51 | C61 | H611 | 109.2° | 109.5° |
| C51 | C61 | H612 | 109.3° | 109.5° |
| C51 | O51 | C11 | 111.0° | 114.2° |
| O51 | C51 | H51 | 109.0° | 109.5° |
| O51 | C11 | O42 | 109.6° | 109.5° |
| O51 | C11 | H11 | 108.1° | 109.5° |
| C11 | O42 | C42 | 110.7° | 114.0° |
| O42 | C11 | H11 | 110.1° | 109.5° |
| O42 | C42 | C32 | 109.9° | 109.6° |
| O42 | C42 | C52 | 110.2° | 109.5° |
| O42 | C42 | H42 | 109.3° | 109.6° |
| O32 | C32 | C42 | 109.5° | 109.6° |
| O32 | C32 | C22 | 108.5° | 109.6° |
| O32 | C32 | H32 | 109.5° | 109.5° |
| C32 | O32 | HOW | 109.5° | 113.9° |
| C32 | C42 | C52 | 110.0° | 109.1° |
| C42 | C32 | C22 | 111.3° | 109.1° |
| C42 | C32 | H32 | 109.0° | 109.5° |
| C32 | C42 | H42 | 108.9° | 109.5° |
| C42 | C52 | C62 | 110.0° | 109.5° |
| C42 | C52 | O52 | 110.4° | 109.4° |
| C52 | C42 | H42 | 108.5° | 109.5° |
| C42 | C52 | H52 | 108.9° | 109.5° |
| C32 | C22 | N22 | 108.6° | 109.5° |
| C32 | C22 | C12 | 113.5° | 109.2° |
| C32 | C22 | H22 | 108.8° | 109.5° |
| C22 | C32 | H32 | 109.0° | 109.6° |
| C52 | C62 | O62 | 109.7° | 109.5° |
| C62 | C52 | O52 | 108.9° | 109.5° |
| C62 | C52 | H52 | 109.1° | 109.4° |
| C52 | C62 | H621 | 109.4° | 109.5° |
| C52 | C62 | H622 | 109.4° | 109.5° |
| O62 | C62 | H621 | 109.4° | 109.5° |
| O62 | C62 | H622 | 109.4° | 109.5° |
| C62 | O62 | HO2 | 109.5° | 114.0° |
| C52 | O52 | C12 | 111.8° | 114.1° |
| O52 | C52 | H52 | 109.5° | 109.5° |
| C22 | N22 | C72 | 120.0° | 119.9° |
| N22 | C22 | C12 | 108.4° | 109.5° |
| N22 | C22 | H22 | 109.0° | 109.5° |
| C22 | N22 | HNM | 120.0° | 120.0° |
| N22 | C72 | C82 | 119.4° | 120.0° |
| N22 | C72 | O72 | 120.2° | 120.0° |
| C72 | N22 | HNM | 120.0° | 120.0° |
| C22 | C12 | O52 | 112.2° | 109.4° |
| C22 | C12 | O43 | 108.2° | 109.5° |
| C22 | C12 | H12 | 108.5° | 109.5° |
| C12 | C22 | H22 | 108.5° | 109.5° |
| O52 | C12 | O43 | 109.0° | 109.5° |
| O52 | C12 | H12 | 108.7° | 109.4° |
| C12 | O43 | C43 | 112.7° | 114.1° |
| O43 | C12 | H12 | 110.2° | 109.5° |
| C82 | C72 | O72 | 120.4° | 120.0° |
| C72 | C82 | H823 | 109.5° | 109.4° |
| C72 | C82 | H821 | 109.5° | 109.4° |
| C72 | C82 | H822 | 109.4° | 109.5° |
| O63 | C63 | C53 | 109.2° | 109.4° |
| O63 | C63 | H631 | 109.6° | 109.5° |
| O63 | C63 | H632 | 109.5° | 109.4° |
| C63 | O63 | HO3 | 109.5° | 114.0° |
| O43 | C43 | C53 | 107.6° | 109.5° |
| O43 | C43 | C33 | 108.4° | 109.5° |
| O43 | C43 | H43 | 109.9° | 109.5° |
| C63 | C53 | C43 | 110.5° | 109.5° |
| C63 | C53 | O53 | 108.4° | 109.5° |
| C63 | C53 | H53 | 108.7° | 109.6° |
| C53 | C63 | H631 | 109.5° | 109.5° |
| C53 | C63 | H632 | 109.5° | 109.5° |
| C53 | C43 | C33 | 112.4° | 109.2° |
| C43 | C53 | O53 | 111.8° | 109.4° |
| C53 | C43 | H43 | 109.0° | 109.5° |
| C43 | C53 | H53 | 108.2° | 109.5° |
| C43 | C33 | O33 | 109.7° | 109.6° |
| C43 | C33 | C23 | 112.7° | 109.1° |
| C43 | C33 | H33 | 108.2° | 109.6° |
| C33 | C43 | H43 | 109.5° | 109.6° |
| O33 | C33 | C23 | 108.9° | 109.6° |
| O33 | C33 | H33 | 108.9° | 109.5° |
| C33 | O33 | HOX | 109.5° | 114.0° |
| C53 | O53 | C13 | 108.4° | 114.1° |
| O53 | C53 | H53 | 109.1° | 109.4° |
| C33 | C23 | C13 | 111.6° | 109.1° |
| C33 | C23 | N23 | 109.4° | 109.5° |
| C33 | C23 | H23 | 109.9° | 109.5° |
| C23 | C33 | H33 | 108.3° | 109.5° |
| O53 | C13 | C23 | 109.6° | 109.5° |
| O53 | C13 | O13 | 109.1° | 109.5° |
| O53 | C13 | H13 | 108.4° | 109.5° |
| C13 | C23 | N23 | 106.5° | 109.5° |
| C23 | C13 | O13 | 111.5° | 109.5° |
| C23 | C13 | H13 | 108.1° | 109.5° |
| C13 | C23 | H23 | 109.5° | 109.5° |
| C23 | N23 | C73 | 121.2° | 120.0° |
| N23 | C23 | H23 | 109.8° | 109.6° |
| C23 | N23 | HNN | 119.4° | 120.0° |
| O13 | C13 | H13 | 110.1° | 109.5° |
| C13 | O13 | HOD | 109.5° | 114.0° |
| O73 | C73 | N23 | 121.1° | 120.0° |
| O73 | C73 | C83 | 120.9° | 120.0° |
| N23 | C73 | C83 | 118.0° | 120.0° |
| C73 | N23 | HNN | 119.4° | 120.1° |
| C73 | C83 | H831 | 109.5° | 109.5° |
| C73 | C83 | H832 | 109.5° | 109.5° |
| C73 | C83 | H833 | 109.5° | 109.5° |
| H812 | C81 | H813 | 109.5° | 109.5° |
| H812 | C81 | H811 | 109.5° | 109.5° |
| H813 | C81 | H811 | 109.4° | 109.5° |
| H611 | C61 | H612 | 109.5° | 109.5° |
| H823 | C82 | H821 | 109.5° | 109.5° |
| H823 | C82 | H822 | 109.5° | 109.5° |
| H821 | C82 | H822 | 109.5° | 109.5° |
| H621 | C62 | H622 | 109.4° | 109.5° |
| H831 | C83 | H832 | 109.5° | 109.5° |
| H831 | C83 | H833 | 109.4° | 109.4° |
| H832 | C83 | H833 | 109.5° | 109.4° |
| H631 | C63 | H632 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C31 | C41 | C21 | 120.9° | 119.8° |
| O31 | C31 | C41 | H31 | 118.6° | 120.3° |
| O31 | C31 | C21 | H31 | 118.8° | 120.2° |
| O31 | C31 | C41 | O41 | 69.6° | 63.3° |
| O31 | C31 | C41 | C51 | 170.5° | 176.8° |
| O31 | C31 | C21 | N21 | 67.0° | 63.2° |
| O31 | C31 | C21 | C11 | 172.2° | 176.9° |
| O31 | C31 | C21 | H21 | 52.0° | 57.0° |
| O31 | C31 | C41 | H41 | 50.1° | 56.9° |
| O71 | C71 | C81 | N21 | 180.0° | 180.0° |
| O71 | C71 | N21 | C21 | 0.0° | 0.1° |
| O71 | C71 | N21 | HNL | 180.0° | 180.0° |
| O71 | C71 | C81 | H812 | 0.0° | 90.0° |
| O71 | C71 | C81 | H813 | 120.0° | 30.0° |
| O71 | C71 | C81 | H811 | 120.0° | 150.0° |
| C81 | C71 | N21 | C21 | 180.0° | 180.0° |
| C81 | C71 | N21 | HNL | 0.0° | 0.0° |
| C71 | C81 | H812 | H813 | 120.0° | 120.0° |
| C71 | C81 | H812 | H811 | 120.0° | 120.0° |
| C71 | C81 | H813 | H811 | 120.0° | 120.0° |
| C71 | N21 | C21 | C31 | 136.1° | 155.3° |
| C71 | N21 | C21 | HNL | 180.0° | 179.9° |
| C71 | N21 | C21 | C11 | 101.7° | 85.0° |
| C71 | N21 | C21 | H21 | 17.0° | 35.1° |
| N21 | C71 | C81 | H812 | 180.0° | 90.0° |
| N21 | C71 | C81 | H813 | 60.0° | 150.0° |
| N21 | C71 | C81 | H811 | 59.9° | 30.0° |
| C41 | C31 | C21 | H31 | 120.3° | 119.9° |
| C31 | C41 | O41 | C51 | 122.4° | 119.6° |
| C31 | C41 | O41 | H41 | 119.0° | 120.2° |
| C31 | C41 | C51 | H41 | 120.5° | 120.0° |
| C41 | C31 | C21 | N21 | 172.1° | 176.9° |
| C41 | C31 | C21 | C11 | 51.2° | 57.0° |
| C31 | C41 | C51 | C61 | 173.7° | 177.6° |
| C31 | C41 | C51 | O51 | 51.9° | 57.6° |
| C41 | C31 | C21 | H21 | 69.0° | 62.9° |
| C41 | C31 | O31 | HOV | 180.0° | 60.0° |
| C31 | C41 | O41 | HO4 | 180.0° | 180.0° |
| C31 | C41 | C51 | H51 | 68.1° | 62.3° |
| C21 | C31 | C41 | O41 | 169.5° | 176.9° |
| C21 | C31 | C41 | C51 | 49.6° | 57.0° |
| C31 | C21 | N21 | C11 | 122.2° | 119.7° |
| C31 | C21 | N21 | H21 | 119.1° | 120.2° |
| C31 | C21 | C11 | H21 | 120.6° | 119.9° |
| C31 | C21 | C11 | O51 | 55.2° | 57.6° |
| C31 | C21 | C11 | O42 | 176.8° | 177.6° |
| C31 | C21 | C11 | H11 | 63.0° | 62.4° |
| C31 | C21 | N21 | HNL | 43.9° | 24.6° |
| C21 | C31 | O31 | HOV | 56.5° | 179.5° |
| C21 | C31 | C41 | H41 | 70.8° | 62.9° |
| O41 | C41 | C51 | H41 | 119.6° | 120.2° |
| O41 | C41 | C51 | C61 | 66.4° | 62.5° |
| O41 | C41 | C51 | O51 | 171.8° | 177.5° |
| O41 | C41 | C31 | H31 | 49.0° | 57.0° |
| O41 | C41 | C51 | H51 | 51.8° | 57.5° |
| C41 | C51 | C61 | O61 | 61.6° | 175.0° |
| C41 | C51 | C61 | O51 | 123.0° | 119.9° |
| C41 | C51 | C61 | H51 | 118.0° | 120.0° |
| C41 | C51 | O51 | H51 | 119.5° | 119.9° |
| C41 | C51 | O51 | C11 | 56.2° | 61.2° |
| C51 | C41 | C31 | H31 | 70.9° | 62.9° |
| C51 | C41 | O41 | HO4 | 57.6° | 60.3° |
| C41 | C51 | C61 | H611 | 58.5° | 55.0° |
| C41 | C51 | C61 | H612 | 178.2° | 65.0° |
| N21 | C21 | C11 | H21 | 118.9° | 120.2° |
| N21 | C21 | C11 | O51 | 175.8° | 177.5° |
| N21 | C21 | C11 | O42 | 62.6° | 62.4° |
| N21 | C21 | C11 | H11 | 57.6° | 57.6° |
| N21 | C21 | C31 | H31 | 51.8° | 57.0° |
| C21 | C11 | O51 | C51 | 57.9° | 61.2° |
| C21 | C11 | O51 | O42 | 122.0° | 120.0° |
| C21 | C11 | O51 | H11 | 118.0° | 120.0° |
| C21 | C11 | O42 | H11 | 118.8° | 120.0° |
| C21 | C11 | O42 | C42 | 168.8° | 169.1° |
| C11 | C21 | N21 | HNL | 78.3° | 95.0° |
| C11 | C21 | C31 | H31 | 69.0° | 62.9° |
| O61 | C61 | C51 | H611 | 120.1° | 120.0° |
| O61 | C61 | C51 | H612 | 120.2° | 120.0° |
| O61 | C61 | C51 | O51 | 61.4° | 65.1° |
| O61 | C61 | C51 | H51 | 179.6° | 55.0° |
| O61 | C61 | H611 | H612 | 119.6° | 120.1° |
| C61 | C51 | O51 | H51 | 118.8° | 120.1° |
| C61 | C51 | O51 | C11 | 177.8° | 178.8° |
| C61 | C51 | C41 | H41 | 53.2° | 57.6° |
| C51 | C61 | H611 | H612 | 119.6° | 120.0° |
| C51 | C61 | O61 | HO6 | 180.0° | 180.0° |
| C51 | O51 | C11 | O42 | 179.9° | 178.8° |
| C51 | O51 | C11 | H11 | 60.1° | 58.8° |
| O51 | C51 | C41 | H41 | 68.6° | 62.3° |
| O51 | C51 | C61 | H611 | 178.5° | 174.9° |
| O51 | C51 | C61 | H612 | 58.8° | 54.9° |
| O51 | C11 | O42 | H11 | 118.8° | 120.1° |
| O51 | C11 | O42 | C42 | 68.8° | 71.0° |
| O51 | C11 | C21 | H21 | 65.3° | 62.3° |
| C11 | O51 | C51 | H51 | 63.4° | 58.7° |
| C11 | O42 | C42 | C32 | 115.7° | 137.6° |
| C11 | O42 | C42 | C52 | 122.8° | 102.7° |
| O42 | C11 | C21 | H21 | 56.3° | 57.7° |
| C11 | O42 | C42 | H42 | 3.7° | 17.4° |
| O42 | C42 | C32 | O32 | 62.0° | 63.2° |
| O42 | C42 | C32 | C52 | 121.5° | 119.9° |
| O42 | C42 | C32 | H42 | 119.6° | 120.2° |
| O42 | C42 | C52 | H42 | 119.6° | 120.2° |
| O42 | C42 | C32 | C22 | 178.0° | 176.9° |
| O42 | C42 | C52 | C62 | 58.2° | 62.5° |
| O42 | C42 | C52 | O52 | 178.5° | 177.6° |
| C42 | O42 | C11 | H11 | 50.0° | 49.1° |
| O42 | C42 | C32 | H32 | 57.7° | 57.0° |
| O42 | C42 | C52 | H52 | 61.4° | 57.5° |
| O32 | C32 | C42 | C22 | 119.9° | 119.9° |
| O32 | C32 | C42 | H32 | 119.8° | 120.2° |
| O32 | C32 | C42 | C52 | 176.4° | 176.9° |
| O32 | C32 | C22 | H32 | 119.2° | 120.2° |
| O32 | C32 | C22 | N22 | 67.7° | 63.2° |
| O32 | C32 | C22 | C12 | 171.7° | 176.9° |
| O32 | C32 | C22 | H22 | 50.7° | 57.0° |
| O32 | C32 | C42 | H42 | 57.6° | 57.0° |
| C32 | C42 | C52 | H42 | 119.0° | 119.9° |
| C42 | C32 | C22 | H32 | 120.3° | 119.8° |
| C32 | C42 | C52 | C62 | 179.5° | 177.6° |
| C32 | C42 | C52 | O52 | 60.2° | 57.6° |
| C42 | C32 | C22 | N22 | 171.8° | 176.9° |
| C42 | C32 | C22 | C12 | 51.2° | 57.0° |
| C42 | C32 | C22 | H22 | 69.8° | 62.9° |
| C42 | C32 | O32 | HOW | 180.0° | 179.6° |
| C32 | C42 | C52 | H52 | 60.0° | 62.4° |
| C52 | C42 | C32 | C22 | 56.5° | 57.0° |
| C42 | C52 | C62 | O52 | 121.1° | 119.9° |
| C42 | C52 | C62 | H52 | 119.4° | 120.0° |
| C42 | C52 | C62 | O62 | 66.3° | 176.0° |
| C42 | C52 | O52 | H52 | 119.8° | 120.0° |
| C42 | C52 | O52 | C12 | 57.7° | 61.1° |
| C52 | C42 | C32 | H32 | 63.8° | 62.9° |
| C42 | C52 | C62 | H621 | 173.7° | 56.0° |
| C42 | C52 | C62 | H622 | 53.8° | 64.0° |
| C32 | C22 | N22 | C12 | 123.7° | 119.7° |
| C32 | C22 | N22 | H22 | 118.4° | 120.2° |
| C32 | C22 | N22 | C72 | 132.5° | 155.3° |
| C32 | C22 | C12 | H22 | 121.1° | 119.9° |
| C32 | C22 | C12 | O52 | 48.2° | 57.6° |
| C32 | C22 | C12 | O43 | 168.5° | 177.6° |
| C32 | C22 | C12 | H12 | 72.0° | 62.3° |
| C32 | C22 | N22 | HNM | 47.5° | 24.8° |
| C22 | C32 | O32 | HOW | 58.3° | 60.0° |
| C22 | C32 | C42 | H42 | 62.4° | 62.9° |
| C52 | C62 | O62 | H621 | 120.0° | 120.0° |
| C52 | C62 | O62 | H622 | 120.1° | 120.0° |
| C62 | C52 | O52 | H52 | 119.3° | 120.0° |
| C62 | C52 | O52 | C12 | 178.6° | 178.9° |
| C62 | C52 | C42 | H42 | 61.4° | 57.7° |
| C52 | C62 | H621 | H622 | 119.9° | 120.0° |
| C52 | C62 | O62 | HO2 | 180.0° | 180.0° |
| O62 | C62 | C52 | O52 | 54.8° | 64.0° |
| O62 | C62 | C52 | H52 | 174.3° | 56.0° |
| O62 | C62 | H621 | H622 | 119.9° | 120.0° |
| C52 | O52 | C12 | C22 | 51.5° | 61.1° |
| C52 | O52 | C12 | O43 | 171.3° | 178.8° |
| C52 | O52 | C12 | H12 | 68.5° | 58.8° |
| O52 | C52 | C42 | H42 | 58.8° | 62.3° |
| O52 | C52 | C62 | H621 | 65.2° | 176.0° |
| O52 | C52 | C62 | H622 | 174.9° | 56.0° |
| C22 | N22 | C72 | HNM | 180.0° | 179.9° |
| N22 | C22 | C12 | H22 | 118.2° | 120.1° |
| N22 | C22 | C12 | O52 | 168.9° | 177.5° |
| N22 | C22 | C12 | O43 | 70.7° | 62.4° |
| C22 | N22 | C72 | C82 | 179.8° | 180.0° |
| C22 | N22 | C72 | O72 | 0.3° | 0.1° |
| N22 | C22 | C12 | H12 | 48.8° | 57.6° |
| N22 | C22 | C32 | H32 | 51.5° | 57.1° |
| C72 | N22 | C22 | C12 | 103.8° | 85.0° |
| N22 | C72 | C82 | O72 | 179.9° | 179.9° |
| C72 | N22 | C22 | H22 | 14.1° | 35.2° |
| N22 | C72 | C82 | H823 | 179.9° | 0.1° |
| N22 | C72 | C82 | H821 | 59.9° | 120.0° |
| N22 | C72 | C82 | H822 | 60.1° | 119.9° |
| C22 | C12 | O52 | O43 | 119.8° | 120.0° |
| C22 | C12 | O52 | H12 | 120.0° | 119.9° |
| C22 | C12 | O43 | H12 | 118.4° | 120.0° |
| C22 | C12 | O43 | C43 | 164.5° | 170.4° |
| C12 | C22 | N22 | HNM | 76.2° | 95.0° |
| C12 | C22 | C32 | H32 | 69.2° | 62.9° |
| O52 | C12 | O43 | H12 | 119.2° | 120.0° |
| O52 | C12 | O43 | C43 | 73.2° | 69.7° |
| O52 | C12 | C22 | H22 | 72.9° | 62.3° |
| C12 | O52 | C52 | H52 | 62.1° | 58.9° |
| C12 | O43 | C43 | C53 | 121.2° | 104.3° |
| C12 | O43 | C43 | C33 | 117.0° | 136.0° |
| O43 | C12 | C22 | H22 | 47.5° | 57.7° |
| C12 | O43 | C43 | H43 | 2.6° | 15.8° |
| C82 | C72 | N22 | HNM | 0.2° | 0.1° |
| C72 | C82 | H823 | H821 | 120.0° | 119.9° |
| C72 | C82 | H823 | H822 | 120.0° | 120.0° |
| C72 | C82 | H821 | H822 | 120.0° | 120.0° |
| O72 | C72 | N22 | HNM | 179.7° | 180.0° |
| O72 | C72 | C82 | H823 | 0.0° | 180.0° |
| O72 | C72 | C82 | H821 | 120.0° | 60.0° |
| O72 | C72 | C82 | H822 | 120.0° | 60.0° |
| O63 | C63 | C53 | H631 | 120.0° | 120.0° |
| O63 | C63 | C53 | H632 | 120.0° | 120.0° |
| O63 | C63 | C53 | C43 | 70.3° | 175.9° |
| O63 | C63 | C53 | O53 | 52.6° | 64.2° |
| O63 | C63 | C53 | H53 | 171.1° | 55.9° |
| O63 | C63 | H631 | H632 | 120.1° | 120.0° |
| O43 | C43 | C53 | C63 | 67.8° | 62.5° |
| O43 | C43 | C53 | C33 | 119.3° | 119.9° |
| O43 | C43 | C53 | H43 | 119.2° | 120.1° |
| O43 | C43 | C33 | H43 | 119.9° | 120.2° |
| O43 | C43 | C33 | O33 | 73.6° | 63.2° |
| O43 | C43 | C53 | O53 | 171.3° | 177.5° |
| O43 | C43 | C33 | C23 | 164.9° | 176.9° |
| C43 | O43 | C12 | H12 | 46.1° | 50.3° |
| O43 | C43 | C33 | H33 | 45.1° | 57.1° |
| O43 | C43 | C53 | H53 | 51.1° | 57.6° |
| C63 | C53 | C43 | O53 | 120.9° | 120.0° |
| C63 | C53 | C43 | H53 | 118.9° | 120.1° |
| C63 | C53 | C43 | C33 | 172.9° | 177.6° |
| C63 | C53 | O53 | H53 | 118.2° | 120.1° |
| C63 | C53 | O53 | C13 | 177.5° | 178.9° |
| C63 | C53 | C43 | H43 | 51.4° | 57.6° |
| C53 | C63 | H631 | H632 | 120.1° | 120.1° |
| C53 | C63 | O63 | HO3 | 180.0° | 180.0° |
| C53 | C43 | C33 | H43 | 121.3° | 119.9° |
| C53 | C43 | C33 | O33 | 167.6° | 176.9° |
| C43 | C53 | O53 | H53 | 119.7° | 119.9° |
| C53 | C43 | C33 | C23 | 46.1° | 57.0° |
| C43 | C53 | O53 | C13 | 60.4° | 61.1° |
| C53 | C43 | C33 | H33 | 73.7° | 62.8° |
| C43 | C53 | C63 | H631 | 49.7° | 55.9° |
| C43 | C53 | C63 | H632 | 169.8° | 64.1° |
| C43 | C33 | O33 | C23 | 123.8° | 119.6° |
| C43 | C33 | O33 | H33 | 118.3° | 120.2° |
| C33 | C43 | C53 | O53 | 52.0° | 57.6° |
| C43 | C33 | C23 | H33 | 119.7° | 119.9° |
| C43 | C33 | C23 | C13 | 50.0° | 56.9° |
| C43 | C33 | C23 | N23 | 167.7° | 176.9° |
| C43 | C33 | C23 | H23 | 71.7° | 62.9° |
| C43 | C33 | O33 | HOX | 180.0° | 179.6° |
| C33 | C43 | C53 | H53 | 68.2° | 62.3° |
| O33 | C33 | C23 | H33 | 118.3° | 120.1° |
| O33 | C33 | C23 | C13 | 171.9° | 176.9° |
| O33 | C33 | C23 | N23 | 70.4° | 63.1° |
| O33 | C33 | C23 | H23 | 50.3° | 57.1° |
| O33 | C33 | C43 | H43 | 46.3° | 57.0° |
| C53 | O53 | C13 | C23 | 63.7° | 61.2° |
| C53 | O53 | C13 | O13 | 173.9° | 178.8° |
| C53 | O53 | C13 | H13 | 54.1° | 58.8° |
| O53 | C53 | C43 | H43 | 69.5° | 62.4° |
| O53 | C53 | C63 | H631 | 172.6° | 175.8° |
| O53 | C53 | C63 | H632 | 67.4° | 55.8° |
| C33 | C23 | C13 | O53 | 58.9° | 57.6° |
| C33 | C23 | C13 | N23 | 119.4° | 119.9° |
| C33 | C23 | C13 | H23 | 121.9° | 119.9° |
| C33 | C23 | N23 | H23 | 120.7° | 120.2° |
| C33 | C23 | C13 | O13 | 179.8° | 177.5° |
| C33 | C23 | N23 | C73 | 127.4° | 155.3° |
| C33 | C23 | C13 | H13 | 59.1° | 62.4° |
| C33 | C23 | N23 | HNN | 52.6° | 24.7° |
| C23 | C33 | O33 | HOX | 56.2° | 59.9° |
| C23 | C33 | C43 | H43 | 75.2° | 62.9° |
| O53 | C13 | C23 | O13 | 120.9° | 120.0° |
| O53 | C13 | C23 | H13 | 117.9° | 120.0° |
| O53 | C13 | C23 | N23 | 178.3° | 177.5° |
| O53 | C13 | O13 | H13 | 118.8° | 120.0° |
| O53 | C13 | O13 | HOD | 180.0° | 60.0° |
| O53 | C13 | C23 | H23 | 63.0° | 62.3° |
| C13 | O53 | C53 | H53 | 59.3° | 58.8° |
| C13 | C23 | N23 | H23 | 118.5° | 120.1° |
| C23 | C13 | O13 | H13 | 119.9° | 120.0° |
| C13 | C23 | N23 | C73 | 111.8° | 85.0° |
| C23 | C13 | O13 | HOD | 58.8° | 180.0° |
| C13 | C23 | N23 | HNN | 68.2° | 95.0° |
| C13 | C23 | C33 | H33 | 69.8° | 62.9° |
| N23 | C23 | C13 | O13 | 60.8° | 62.5° |
| C23 | N23 | C73 | O73 | 1.1° | 0.0° |
| C23 | N23 | C73 | HNN | 180.0° | 180.0° |
| C23 | N23 | C73 | C83 | 179.2° | 180.0° |
| N23 | C23 | C13 | H13 | 60.3° | 57.5° |
| N23 | C23 | C33 | H33 | 47.9° | 57.0° |
| O13 | C13 | C23 | H23 | 57.9° | 57.7° |
| O73 | C73 | N23 | C83 | 179.6° | 180.0° |
| O73 | C73 | N23 | HNN | 178.9° | 180.0° |
| O73 | C73 | C83 | H831 | 0.0° | 179.9° |
| O73 | C73 | C83 | H832 | 120.0° | 60.0° |
| O73 | C73 | C83 | H833 | 120.0° | 60.0° |
| C73 | N23 | C23 | H23 | 6.7° | 35.1° |
| N23 | C73 | C83 | H831 | 179.7° | 0.0° |
| N23 | C73 | C83 | H832 | 59.6° | 120.0° |
| N23 | C73 | C83 | H833 | 60.4° | 120.0° |
| C83 | C73 | N23 | HNN | 0.8° | 0.0° |
| C73 | C83 | H831 | H832 | 120.0° | 120.0° |
| C73 | C83 | H831 | H833 | 120.0° | 120.0° |
| C73 | C83 | H832 | H833 | 120.0° | 120.0° |
| H11 | C11 | C21 | H21 | 176.4° | 177.7° |
| H21 | C21 | N21 | HNL | 163.0° | 144.8° |
| H21 | C21 | C31 | H31 | 170.8° | 177.2° |
| H812 | C81 | H813 | H811 | 120.0° | 120.1° |
| H31 | C31 | O31 | HOV | 62.0° | 60.3° |
| H31 | C31 | C41 | H41 | 168.7° | 177.2° |
| H41 | C41 | O41 | HO4 | 61.0° | 59.8° |
| H41 | C41 | C51 | H51 | 171.4° | 177.7° |
| H51 | C51 | C61 | H611 | 59.5° | 65.0° |
| H51 | C51 | C61 | H612 | 60.3° | 175.0° |
| H611 | C61 | O61 | HO6 | 59.8° | 60.0° |
| H612 | C61 | O61 | HO6 | 59.9° | 60.0° |
| H12 | C12 | C22 | H22 | 167.0° | 177.7° |
| H22 | C22 | N22 | HNM | 165.9° | 144.9° |
| H22 | C22 | C32 | H32 | 169.9° | 177.2° |
| H823 | C82 | H821 | H822 | 120.0° | 120.0° |
| H32 | C32 | O32 | HOW | 60.5° | 60.2° |
| H32 | C32 | C42 | H42 | 177.4° | 177.2° |
| H42 | C42 | C52 | H52 | 179.0° | 177.7° |
| H52 | C52 | C62 | H621 | 54.3° | 64.0° |
| H52 | C52 | C62 | H622 | 65.6° | 176.0° |
| H621 | C62 | O62 | HO2 | 60.0° | 60.0° |
| H622 | C62 | O62 | HO2 | 59.9° | 60.0° |
| H13 | C13 | O13 | HOD | 61.2° | 60.0° |
| H13 | C13 | C23 | H23 | 179.1° | 177.7° |
| H23 | C23 | N23 | HNN | 173.3° | 144.9° |
| H23 | C23 | C33 | H33 | 168.6° | 177.2° |
| H831 | C83 | H832 | H833 | 119.9° | 119.9° |
| H33 | C33 | O33 | HOX | 61.7° | 60.2° |
| H33 | C33 | C43 | H43 | 164.9° | 177.2° |
| H43 | C43 | C53 | H53 | 170.2° | 177.7° |
| H53 | C53 | C63 | H631 | 68.9° | 64.1° |
| H53 | C53 | C63 | H632 | 51.2° | 175.8° |
| H631 | C63 | O63 | HO3 | 60.1° | 60.0° |
| H632 | C63 | O63 | HO3 | 60.0° | 60.1° |
