Obsolete: TCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N2 | sing | 1.47Å | 1.48Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| N2 | C2 | sing | 1.47Å | 1.49Å | |
| N2 | C8 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O41 | C1 | sing | 1.43Å | 1.43Å | |
| O41 | C41 | sing | 1.43Å | 1.42Å | |
| O62 | C62 | sing | 1.43Å | 1.45Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| O61 | C61 | sing | 1.43Å | 1.44Å | |
| C51 | C61 | sing | 1.53Å | 1.52Å | |
| C51 | C41 | sing | 1.53Å | 1.53Å | |
| C51 | O51 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C41 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | O31 | sing | 1.43Å | 1.44Å | |
| C31 | C21 | sing | 1.53Å | 1.52Å | |
| C62 | C52 | sing | 1.53Å | 1.53Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C11 | O51 | sing | 1.43Å | 1.43Å | |
| C11 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | O42 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| N21 | C21 | sing | 1.47Å | 1.46Å | |
| N21 | C71 | sing | 1.35Å | 1.34Å | |
| C42 | C52 | sing | 1.53Å | 1.53Å | |
| C42 | O42 | sing | 1.43Å | 1.41Å | |
| C42 | C32 | sing | 1.53Å | 1.52Å | |
| O52 | C52 | sing | 1.43Å | 1.42Å | |
| O52 | C12 | sing | 1.43Å | 1.43Å | |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| O43 | C12 | sing | 1.43Å | 1.41Å | |
| O43 | C43 | sing | 1.43Å | 1.41Å | |
| O72 | C72 | doub | 1.21Å | 1.23Å | |
| O13 | C13 | sing | 1.43Å | 1.45Å | |
| O63 | C63 | sing | 1.43Å | 1.46Å | |
| C13 | O53 | sing | 1.43Å | 1.44Å | |
| C13 | C23 | sing | 1.53Å | 1.54Å | |
| O71 | C71 | doub | 1.21Å | 1.22Å | |
| C53 | O53 | sing | 1.43Å | 1.43Å | |
| C53 | C63 | sing | 1.53Å | 1.52Å | |
| C53 | C43 | sing | 1.53Å | 1.51Å | |
| C22 | C32 | sing | 1.53Å | 1.51Å | |
| C22 | C12 | sing | 1.53Å | 1.53Å | |
| C22 | N22 | sing | 1.46Å | 1.46Å | |
| C83 | C73 | sing | 1.51Å | 1.51Å | |
| C71 | C81 | sing | 1.51Å | 1.50Å | |
| N23 | C73 | sing | 1.35Å | 1.34Å | |
| N23 | C23 | sing | 1.47Å | 1.47Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C43 | C33 | sing | 1.53Å | 1.53Å | |
| C73 | O73 | doub | 1.21Å | 1.22Å | |
| C72 | N22 | sing | 1.35Å | 1.34Å | |
| C72 | C82 | sing | 1.51Å | 1.51Å | |
| C23 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | O33 | sing | 1.43Å | 1.43Å | |
| C83 | H1 | sing | 1.09Å | 1.10Å | |
| C83 | H2 | sing | 1.09Å | 1.10Å | |
| C83 | H3 | sing | 1.09Å | 1.10Å | |
| N23 | H4 | sing | 0.97Å | 1.00Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| O33 | H7 | sing | 0.97Å | 0.95Å | |
| C43 | H8 | sing | 1.09Å | 1.10Å | |
| C53 | H9 | sing | 1.09Å | 1.10Å | |
| C63 | H10 | sing | 1.09Å | 1.10Å | |
| C63 | H11 | sing | 1.09Å | 1.10Å | |
| O63 | H12 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | H14 | sing | 0.97Å | 0.95Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C52 | H16 | sing | 1.09Å | 1.10Å | |
| C62 | H17 | sing | 1.09Å | 1.10Å | |
| C62 | H18 | sing | 1.09Å | 1.10Å | |
| O62 | H19 | sing | 0.97Å | 0.95Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| N22 | H24 | sing | 0.97Å | 1.00Å | |
| C82 | H25 | sing | 1.09Å | 1.10Å | |
| C82 | H26 | sing | 1.09Å | 1.10Å | |
| C82 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C61 | H30 | sing | 1.09Å | 1.10Å | |
| C61 | H31 | sing | 1.09Å | 1.10Å | |
| O61 | H32 | sing | 0.97Å | 0.95Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| O31 | H35 | sing | 0.97Å | 0.95Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| N21 | H37 | sing | 0.97Å | 1.00Å | |
| C81 | H38 | sing | 1.09Å | 1.10Å | |
| C81 | H39 | sing | 1.09Å | 1.10Å | |
| C81 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | H52 | sing | 1.09Å | 1.10Å | |
| O3 | H53 | sing | 0.97Å | 0.95Å | |
| C4 | H54 | sing | 1.09Å | 1.10Å | |
| O4 | H55 | sing | 0.97Å | 0.95Å | |
| C5 | H56 | sing | 1.09Å | 1.10Å | |
| C6 | H57 | sing | 1.09Å | 1.10Å | |
| C6 | H58 | sing | 1.09Å | 1.10Å | |
| O6 | H59 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N2 | C7 | 106.7° | 109.5° |
| C9 | N2 | C2 | 110.1° | 109.4° |
| C9 | N2 | C8 | 108.5° | 109.5° |
| N2 | C9 | H43 | 109.5° | 109.5° |
| N2 | C9 | H44 | 109.4° | 109.4° |
| N2 | C9 | H45 | 109.5° | 109.5° |
| C7 | N2 | C2 | 109.5° | 109.5° |
| C7 | N2 | C8 | 107.5° | 109.5° |
| N2 | C7 | H49 | 109.5° | 109.5° |
| N2 | C7 | H50 | 109.4° | 109.5° |
| N2 | C7 | H51 | 109.5° | 109.5° |
| O3 | C3 | C2 | 109.9° | 109.5° |
| O3 | C3 | C4 | 109.6° | 109.5° |
| O3 | C3 | H52 | 109.5° | 109.6° |
| C3 | O3 | H53 | 109.5° | 114.0° |
| C2 | N2 | C8 | 114.2° | 109.5° |
| N2 | C2 | C3 | 113.1° | 109.5° |
| N2 | C2 | C1 | 112.0° | 109.5° |
| N2 | C2 | H42 | 106.3° | 109.6° |
| N2 | C8 | H46 | 109.5° | 109.5° |
| N2 | C8 | H47 | 109.5° | 109.5° |
| N2 | C8 | H48 | 109.5° | 109.4° |
| C3 | C2 | C1 | 113.2° | 109.1° |
| C2 | C3 | C4 | 111.3° | 109.0° |
| C3 | C2 | H42 | 105.8° | 109.5° |
| C2 | C3 | H52 | 108.1° | 109.5° |
| C2 | C1 | O41 | 107.0° | 109.5° |
| C2 | C1 | O5 | 115.7° | 109.4° |
| C2 | C1 | H41 | 106.2° | 109.5° |
| C1 | C2 | H42 | 105.7° | 109.5° |
| C3 | C4 | O4 | 109.1° | 109.5° |
| C3 | C4 | C5 | 108.0° | 109.2° |
| C4 | C3 | H52 | 108.4° | 109.6° |
| C3 | C4 | H54 | 109.3° | 109.5° |
| C1 | O41 | C41 | 117.0° | 114.0° |
| O41 | C1 | O5 | 112.6° | 109.5° |
| O41 | C1 | H41 | 107.5° | 109.5° |
| O41 | C41 | C51 | 110.6° | 109.6° |
| O41 | C41 | C31 | 104.9° | 109.5° |
| O41 | C41 | H33 | 111.2° | 109.5° |
| O62 | C62 | C52 | 110.0° | 109.5° |
| O62 | C62 | H17 | 109.3° | 109.4° |
| O62 | C62 | H18 | 109.3° | 109.5° |
| C62 | O62 | H19 | 109.5° | 114.0° |
| C1 | O5 | C5 | 118.2° | 114.1° |
| O5 | C1 | H41 | 107.4° | 109.5° |
| O61 | C61 | C51 | 109.2° | 109.5° |
| O61 | C61 | H30 | 109.6° | 109.5° |
| O61 | C61 | H31 | 109.5° | 109.4° |
| C61 | O61 | H32 | 109.5° | 114.0° |
| C61 | C51 | C41 | 112.4° | 109.5° |
| C61 | C51 | O51 | 107.4° | 109.5° |
| C61 | C51 | H29 | 108.6° | 109.4° |
| C51 | C61 | H30 | 109.5° | 109.5° |
| C51 | C61 | H31 | 109.5° | 109.4° |
| C41 | C51 | O51 | 110.2° | 109.5° |
| C51 | C41 | C31 | 110.8° | 109.2° |
| C41 | C51 | H29 | 108.5° | 109.5° |
| C51 | C41 | H33 | 109.6° | 109.5° |
| C51 | O51 | C11 | 113.3° | 114.1° |
| O51 | C51 | H29 | 109.8° | 109.4° |
| O4 | C4 | C5 | 110.6° | 109.5° |
| O4 | C4 | H54 | 110.5° | 109.5° |
| C4 | O4 | H55 | 109.5° | 114.0° |
| C4 | C5 | O5 | 111.7° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C5 | C4 | H54 | 109.2° | 109.6° |
| C4 | C5 | H56 | 108.1° | 109.5° |
| C41 | C31 | O31 | 110.9° | 109.5° |
| C41 | C31 | C21 | 111.4° | 109.0° |
| C31 | C41 | H33 | 109.6° | 109.5° |
| C41 | C31 | H34 | 108.0° | 109.6° |
| O31 | C31 | C21 | 109.3° | 109.5° |
| O31 | C31 | H34 | 109.2° | 109.6° |
| C31 | O31 | H35 | 109.5° | 114.0° |
| C31 | C21 | C11 | 108.4° | 109.2° |
| C31 | C21 | N21 | 107.2° | 109.6° |
| C21 | C31 | H34 | 108.0° | 109.5° |
| C31 | C21 | H36 | 111.4° | 109.5° |
| C62 | C52 | C42 | 111.1° | 109.5° |
| C62 | C52 | O52 | 107.7° | 109.5° |
| C62 | C52 | H16 | 108.4° | 109.5° |
| C52 | C62 | H17 | 109.4° | 109.4° |
| C52 | C62 | H18 | 109.3° | 109.5° |
| O5 | C5 | C6 | 108.8° | 109.5° |
| O5 | C5 | H56 | 109.3° | 109.4° |
| O51 | C11 | C21 | 109.8° | 109.4° |
| O51 | C11 | O42 | 109.7° | 109.5° |
| O51 | C11 | H28 | 111.2° | 109.5° |
| C21 | C11 | O42 | 104.6° | 109.5° |
| C11 | C21 | N21 | 105.7° | 109.5° |
| C21 | C11 | H28 | 109.9° | 109.5° |
| C11 | C21 | H36 | 111.5° | 109.5° |
| C11 | O42 | C42 | 114.0° | 114.0° |
| O42 | C11 | H28 | 111.4° | 109.5° |
| C5 | C6 | O6 | 109.2° | 109.5° |
| C6 | C5 | H56 | 108.2° | 109.5° |
| C5 | C6 | H57 | 109.5° | 109.5° |
| C5 | C6 | H58 | 109.5° | 109.5° |
| C21 | N21 | C71 | 125.7° | 120.0° |
| N21 | C21 | H36 | 112.4° | 109.5° |
| C21 | N21 | H37 | 117.2° | 120.0° |
| N21 | C71 | O71 | 121.0° | 120.0° |
| N21 | C71 | C81 | 118.8° | 120.0° |
| C71 | N21 | H37 | 117.1° | 120.0° |
| C52 | C42 | O42 | 107.3° | 109.6° |
| C52 | C42 | C32 | 112.5° | 109.2° |
| C42 | C52 | O52 | 111.5° | 109.4° |
| C42 | C52 | H16 | 108.4° | 109.5° |
| C52 | C42 | H20 | 110.2° | 109.6° |
| O42 | C42 | C32 | 104.4° | 109.5° |
| O42 | C42 | H20 | 111.9° | 109.5° |
| C42 | C32 | O32 | 109.2° | 109.6° |
| C42 | C32 | C22 | 112.0° | 109.0° |
| C32 | C42 | H20 | 110.3° | 109.5° |
| C42 | C32 | H21 | 109.0° | 109.6° |
| C52 | O52 | C12 | 116.5° | 114.1° |
| O52 | C52 | H16 | 109.7° | 109.5° |
| O52 | C12 | O43 | 103.8° | 109.5° |
| O52 | C12 | C22 | 113.7° | 109.4° |
| O52 | C12 | H15 | 111.7° | 109.4° |
| O32 | C32 | C22 | 107.5° | 109.5° |
| O32 | C32 | H21 | 110.2° | 109.6° |
| C32 | O32 | H22 | 109.5° | 114.0° |
| C12 | O43 | C43 | 110.4° | 114.0° |
| O43 | C12 | C22 | 105.3° | 109.5° |
| O43 | C12 | H15 | 111.9° | 109.6° |
| O43 | C43 | C53 | 106.9° | 109.6° |
| O43 | C43 | C33 | 110.0° | 109.5° |
| O43 | C43 | H8 | 109.5° | 109.6° |
| O72 | C72 | N22 | 122.4° | 120.0° |
| O72 | C72 | C82 | 121.0° | 120.0° |
| O13 | C13 | O53 | 109.1° | 109.5° |
| O13 | C13 | C23 | 109.1° | 109.5° |
| O13 | C13 | H13 | 110.3° | 109.5° |
| C13 | O13 | H14 | 109.5° | 114.0° |
| O63 | C63 | C53 | 109.9° | 109.5° |
| O63 | C63 | H10 | 109.3° | 109.4° |
| O63 | C63 | H11 | 109.4° | 109.5° |
| C63 | O63 | H12 | 109.5° | 114.0° |
| O53 | C13 | C23 | 108.7° | 109.4° |
| C13 | O53 | C53 | 111.9° | 114.1° |
| O53 | C13 | H13 | 110.4° | 109.5° |
| C13 | C23 | N23 | 108.5° | 109.5° |
| C13 | C23 | C33 | 110.7° | 109.2° |
| C13 | C23 | H5 | 109.4° | 109.5° |
| C23 | C13 | H13 | 109.1° | 109.5° |
| O71 | C71 | C81 | 120.2° | 120.0° |
| O53 | C53 | C63 | 111.4° | 109.4° |
| O53 | C53 | C43 | 110.0° | 109.5° |
| O53 | C53 | H9 | 110.0° | 109.5° |
| C63 | C53 | C43 | 107.7° | 109.5° |
| C63 | C53 | H9 | 108.8° | 109.5° |
| C53 | C63 | H10 | 109.3° | 109.4° |
| C53 | C63 | H11 | 109.4° | 109.5° |
| C53 | C43 | C33 | 114.1° | 109.2° |
| C53 | C43 | H8 | 108.2° | 109.6° |
| C43 | C53 | H9 | 108.9° | 109.5° |
| C32 | C22 | C12 | 112.1° | 109.2° |
| C32 | C22 | N22 | 104.9° | 109.5° |
| C22 | C32 | H21 | 109.0° | 109.5° |
| C32 | C22 | H23 | 110.8° | 109.5° |
| C12 | C22 | N22 | 106.9° | 109.5° |
| C22 | C12 | H15 | 110.1° | 109.5° |
| C12 | C22 | H23 | 110.6° | 109.5° |
| C22 | N22 | C72 | 121.7° | 120.0° |
| N22 | C22 | H23 | 111.5° | 109.6° |
| C22 | N22 | H24 | 119.2° | 120.1° |
| C83 | C73 | N23 | 117.7° | 120.0° |
| C83 | C73 | O73 | 121.1° | 120.0° |
| C73 | C83 | H1 | 109.5° | 109.5° |
| C73 | C83 | H2 | 109.5° | 109.5° |
| C73 | C83 | H3 | 109.5° | 109.5° |
| C71 | C81 | H38 | 109.5° | 109.5° |
| C71 | C81 | H39 | 109.5° | 109.5° |
| C71 | C81 | H40 | 109.4° | 109.5° |
| C73 | N23 | C23 | 119.6° | 120.0° |
| N23 | C73 | O73 | 121.2° | 120.0° |
| C73 | N23 | H4 | 120.2° | 120.0° |
| N23 | C23 | C33 | 108.1° | 109.5° |
| C23 | N23 | H4 | 120.2° | 119.9° |
| N23 | C23 | H5 | 110.5° | 109.5° |
| O6 | C6 | H57 | 109.5° | 109.4° |
| O6 | C6 | H58 | 109.5° | 109.5° |
| C6 | O6 | H59 | 109.5° | 114.0° |
| C43 | C33 | C23 | 113.6° | 109.0° |
| C43 | C33 | O33 | 108.2° | 109.6° |
| C43 | C33 | H6 | 108.3° | 109.6° |
| C33 | C43 | H8 | 108.0° | 109.5° |
| N22 | C72 | C82 | 116.6° | 120.0° |
| C72 | N22 | H24 | 119.1° | 120.0° |
| C72 | C82 | H25 | 109.5° | 109.5° |
| C72 | C82 | H26 | 109.5° | 109.5° |
| C72 | C82 | H27 | 109.5° | 109.5° |
| C23 | C33 | O33 | 108.9° | 109.6° |
| C33 | C23 | H5 | 109.6° | 109.5° |
| C23 | C33 | H6 | 108.3° | 109.5° |
| O33 | C33 | H6 | 109.5° | 109.6° |
| C33 | O33 | H7 | 109.5° | 114.0° |
| H1 | C83 | H2 | 109.4° | 109.4° |
| H1 | C83 | H3 | 109.5° | 109.4° |
| H2 | C83 | H3 | 109.5° | 109.5° |
| H10 | C63 | H11 | 109.5° | 109.4° |
| H17 | C62 | H18 | 109.5° | 109.5° |
| H25 | C82 | H26 | 109.5° | 109.5° |
| H25 | C82 | H27 | 109.5° | 109.5° |
| H26 | C82 | H27 | 109.5° | 109.5° |
| H30 | C61 | H31 | 109.5° | 109.5° |
| H38 | C81 | H39 | 109.5° | 109.4° |
| H38 | C81 | H40 | 109.5° | 109.4° |
| H39 | C81 | H40 | 109.4° | 109.5° |
| H43 | C9 | H44 | 109.5° | 109.5° |
| H43 | C9 | H45 | 109.4° | 109.5° |
| H44 | C9 | H45 | 109.5° | 109.5° |
| H46 | C8 | H47 | 109.4° | 109.5° |
| H46 | C8 | H48 | 109.5° | 109.4° |
| H47 | C8 | H48 | 109.5° | 109.5° |
| H49 | C7 | H50 | 109.5° | 109.4° |
| H49 | C7 | H51 | 109.4° | 109.4° |
| H50 | C7 | H51 | 109.5° | 109.5° |
| H57 | C6 | H58 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N2 | C7 | C2 | 119.2° | 119.9° |
| C9 | N2 | C7 | C8 | 116.2° | 120.0° |
| C9 | N2 | C2 | C8 | 122.3° | 120.0° |
| C9 | N2 | C2 | C3 | 52.4° | 175.7° |
| C9 | N2 | C2 | C1 | 178.2° | 64.7° |
| C9 | N2 | C2 | H42 | 63.2° | 55.5° |
| N2 | C9 | H43 | H44 | 120.0° | 120.0° |
| N2 | C9 | H43 | H45 | 120.0° | 120.0° |
| N2 | C9 | H44 | H45 | 120.0° | 120.0° |
| C9 | N2 | C8 | H46 | 180.0° | 54.2° |
| C9 | N2 | C8 | H47 | 60.0° | 65.8° |
| C9 | N2 | C8 | H48 | 60.0° | 174.1° |
| C9 | N2 | C7 | H49 | 180.0° | 164.2° |
| C9 | N2 | C7 | H50 | 60.0° | 44.3° |
| C9 | N2 | C7 | H51 | 60.0° | 75.8° |
| C7 | N2 | C2 | C8 | 120.6° | 120.1° |
| C7 | N2 | C2 | C3 | 169.5° | 55.8° |
| C7 | N2 | C2 | C1 | 61.1° | 175.4° |
| C7 | N2 | C2 | H42 | 53.8° | 64.4° |
| C7 | N2 | C9 | H43 | 180.0° | 70.2° |
| C7 | N2 | C9 | H44 | 60.0° | 49.8° |
| C7 | N2 | C9 | H45 | 60.0° | 169.8° |
| C7 | N2 | C8 | H46 | 64.9° | 174.2° |
| C7 | N2 | C8 | H47 | 55.1° | 54.2° |
| C7 | N2 | C8 | H48 | 175.1° | 65.8° |
| N2 | C7 | H49 | H50 | 120.0° | 120.0° |
| N2 | C7 | H49 | H51 | 120.0° | 120.0° |
| N2 | C7 | H50 | H51 | 120.0° | 120.1° |
| O3 | C3 | C2 | N2 | 100.6° | 63.3° |
| O3 | C3 | C2 | C4 | 121.6° | 119.9° |
| O3 | C3 | C2 | H52 | 119.5° | 120.3° |
| O3 | C3 | C2 | C1 | 130.7° | 176.9° |
| O3 | C3 | C4 | H52 | 119.5° | 120.3° |
| O3 | C3 | C4 | O4 | 60.9° | 63.3° |
| O3 | C3 | C4 | C5 | 178.8° | 176.8° |
| O3 | C3 | C2 | H42 | 15.4° | 57.0° |
| O3 | C3 | C4 | H54 | 60.0° | 56.9° |
| N2 | C2 | C3 | C1 | 128.8° | 119.9° |
| N2 | C2 | C3 | H42 | 116.0° | 120.2° |
| N2 | C2 | C1 | H42 | 115.3° | 120.2° |
| N2 | C2 | C3 | C4 | 137.8° | 176.9° |
| N2 | C2 | C1 | O41 | 141.5° | 62.5° |
| N2 | C2 | C1 | O5 | 92.2° | 177.5° |
| N2 | C2 | C1 | H41 | 26.8° | 57.5° |
| C2 | N2 | C9 | H43 | 61.2° | 49.8° |
| C2 | N2 | C9 | H44 | 178.8° | 169.8° |
| C2 | N2 | C9 | H45 | 58.8° | 70.3° |
| C2 | N2 | C8 | H46 | 56.8° | 65.8° |
| C2 | N2 | C8 | H47 | 176.8° | 174.2° |
| C2 | N2 | C8 | H48 | 63.2° | 54.2° |
| C2 | N2 | C7 | H49 | 60.8° | 75.9° |
| C2 | N2 | C7 | H50 | 59.2° | 164.2° |
| C2 | N2 | C7 | H51 | 179.2° | 44.1° |
| N2 | C2 | C3 | H52 | 18.9° | 57.0° |
| C8 | N2 | C2 | C3 | 69.9° | 64.3° |
| C8 | N2 | C2 | C1 | 59.5° | 55.3° |
| C8 | N2 | C2 | H42 | 174.5° | 175.5° |
| C8 | N2 | C9 | H43 | 64.4° | 169.8° |
| C8 | N2 | C9 | H44 | 55.6° | 70.2° |
| C8 | N2 | C9 | H45 | 175.6° | 49.7° |
| N2 | C8 | H46 | H47 | 120.0° | 120.0° |
| N2 | C8 | H46 | H48 | 120.0° | 120.0° |
| N2 | C8 | H47 | H48 | 120.0° | 120.0° |
| C8 | N2 | C7 | H49 | 63.8° | 44.2° |
| C8 | N2 | C7 | H50 | 176.2° | 75.8° |
| C8 | N2 | C7 | H51 | 56.2° | 164.2° |
| C3 | C2 | C1 | H42 | 115.3° | 119.9° |
| C2 | C3 | C4 | H52 | 118.8° | 119.9° |
| C3 | C2 | C1 | O41 | 89.2° | 177.6° |
| C3 | C2 | C1 | O5 | 37.2° | 57.7° |
| C2 | C3 | C4 | O4 | 177.3° | 176.9° |
| C2 | C3 | C4 | C5 | 57.0° | 57.0° |
| C3 | C2 | C1 | H41 | 156.2° | 62.4° |
| C2 | C3 | O3 | H53 | 180.0° | 180.0° |
| C2 | C3 | C4 | H54 | 61.7° | 63.0° |
| C1 | C2 | C3 | C4 | 9.1° | 57.0° |
| C2 | C1 | O41 | O5 | 128.2° | 119.9° |
| C2 | C1 | O41 | H41 | 113.7° | 120.0° |
| C2 | C1 | O41 | C41 | 173.5° | 177.3° |
| C2 | C1 | O5 | H41 | 118.4° | 120.0° |
| C2 | C1 | O5 | C5 | 34.1° | 61.1° |
| C1 | C2 | C3 | H52 | 109.8° | 62.9° |
| C3 | C4 | O4 | C5 | 118.7° | 119.7° |
| C3 | C4 | O4 | H54 | 120.2° | 120.1° |
| C3 | C4 | C5 | H54 | 118.8° | 120.0° |
| C3 | C4 | C5 | O5 | 62.6° | 57.6° |
| C3 | C4 | C5 | C6 | 176.0° | 177.6° |
| C4 | C3 | C2 | H42 | 106.2° | 62.9° |
| C4 | C3 | O3 | H53 | 57.4° | 60.5° |
| C3 | C4 | O4 | H55 | 180.0° | 180.0° |
| C3 | C4 | C5 | H56 | 57.7° | 62.4° |
| O41 | C1 | O5 | H41 | 118.2° | 120.0° |
| C1 | O41 | C41 | C51 | 97.1° | 131.0° |
| C1 | O41 | C41 | C31 | 143.4° | 109.3° |
| O41 | C1 | O5 | C5 | 89.4° | 178.9° |
| C1 | O41 | C41 | H33 | 25.0° | 10.8° |
| O41 | C1 | C2 | H42 | 26.1° | 57.7° |
| C41 | O41 | C1 | O5 | 45.4° | 62.7° |
| O41 | C41 | C51 | C61 | 72.1° | 62.4° |
| O41 | C41 | C51 | C31 | 115.9° | 119.9° |
| O41 | C41 | C51 | H33 | 122.9° | 120.2° |
| O41 | C41 | C51 | O51 | 168.2° | 177.5° |
| O41 | C41 | C31 | H33 | 119.5° | 120.1° |
| O41 | C41 | C31 | O31 | 67.3° | 63.2° |
| O41 | C41 | C31 | C21 | 170.7° | 176.9° |
| O41 | C41 | C51 | H29 | 48.0° | 57.5° |
| O41 | C41 | C31 | H34 | 52.3° | 57.0° |
| C41 | O41 | C1 | H41 | 72.7° | 57.3° |
| O62 | C62 | C52 | H17 | 120.1° | 119.9° |
| O62 | C62 | C52 | H18 | 120.1° | 120.0° |
| O62 | C62 | C52 | C42 | 73.8° | 174.2° |
| O62 | C62 | C52 | O52 | 48.6° | 65.8° |
| O62 | C62 | C52 | H16 | 167.3° | 54.2° |
| O62 | C62 | H17 | H18 | 119.8° | 120.1° |
| C1 | O5 | C5 | C4 | 16.1° | 61.1° |
| C1 | O5 | C5 | C6 | 138.6° | 178.9° |
| O5 | C1 | C2 | H42 | 152.5° | 62.3° |
| C1 | O5 | C5 | H56 | 103.5° | 58.9° |
| O61 | C61 | C51 | H30 | 120.0° | 120.1° |
| O61 | C61 | C51 | H31 | 120.0° | 119.9° |
| O61 | C61 | C51 | C41 | 172.1° | 174.4° |
| O61 | C61 | C51 | O51 | 66.6° | 65.6° |
| O61 | C61 | C51 | H29 | 52.1° | 54.4° |
| O61 | C61 | H30 | H31 | 120.1° | 120.0° |
| C61 | C51 | C41 | O51 | 119.7° | 120.1° |
| C61 | C51 | C41 | H29 | 120.1° | 120.0° |
| C61 | C51 | O51 | H29 | 117.9° | 120.0° |
| C61 | C51 | C41 | C31 | 172.0° | 177.6° |
| C61 | C51 | O51 | C11 | 177.4° | 178.8° |
| C51 | C61 | H30 | H31 | 120.1° | 120.0° |
| C51 | C61 | O61 | H32 | 180.0° | 180.0° |
| C61 | C51 | C41 | H33 | 50.9° | 57.8° |
| C41 | C51 | O51 | H29 | 119.4° | 120.0° |
| C51 | C41 | C31 | H33 | 121.1° | 119.9° |
| C51 | C41 | C31 | O31 | 173.3° | 176.8° |
| C51 | C41 | C31 | C21 | 51.4° | 56.9° |
| C41 | C51 | O51 | C11 | 59.9° | 61.1° |
| C41 | C51 | C61 | H30 | 68.0° | 54.3° |
| C41 | C51 | C61 | H31 | 52.1° | 65.7° |
| C51 | C41 | C31 | H34 | 67.1° | 62.9° |
| O51 | C51 | C41 | C31 | 52.3° | 57.6° |
| C51 | O51 | C11 | C21 | 64.1° | 61.1° |
| C51 | O51 | C11 | O42 | 178.6° | 178.9° |
| C51 | O51 | C11 | H28 | 57.7° | 58.9° |
| O51 | C51 | C61 | H30 | 53.3° | 174.3° |
| O51 | C51 | C61 | H31 | 173.4° | 54.4° |
| O51 | C51 | C41 | H33 | 68.8° | 62.3° |
| O4 | C4 | C5 | H54 | 121.9° | 120.1° |
| O4 | C4 | C5 | O5 | 178.1° | 177.5° |
| O4 | C4 | C5 | C6 | 56.7° | 62.5° |
| O4 | C4 | C3 | H52 | 58.6° | 57.0° |
| O4 | C4 | C5 | H56 | 61.7° | 57.5° |
| C4 | C5 | O5 | C6 | 122.5° | 120.0° |
| C4 | C5 | O5 | H56 | 119.6° | 120.0° |
| C4 | C5 | C6 | H56 | 118.3° | 120.0° |
| C4 | C5 | C6 | O6 | 176.3° | 175.0° |
| C5 | C4 | C3 | H52 | 61.7° | 62.9° |
| C5 | C4 | O4 | H55 | 61.3° | 60.3° |
| C4 | C5 | C6 | H57 | 63.8° | 55.0° |
| C4 | C5 | C6 | H58 | 56.3° | 65.0° |
| C41 | C31 | O31 | C21 | 123.2° | 119.5° |
| C41 | C31 | O31 | H34 | 118.8° | 120.3° |
| C41 | C31 | C21 | H34 | 118.4° | 119.9° |
| C41 | C31 | C21 | C11 | 54.2° | 56.9° |
| C41 | C31 | C21 | N21 | 167.9° | 176.9° |
| C31 | C41 | C51 | H29 | 67.9° | 62.4° |
| C41 | C31 | O31 | H35 | 180.0° | 179.6° |
| C41 | C31 | C21 | H36 | 68.8° | 62.9° |
| O31 | C31 | C21 | H34 | 118.7° | 120.2° |
| O31 | C31 | C21 | C11 | 177.1° | 176.8° |
| O31 | C31 | C21 | N21 | 69.3° | 63.2° |
| O31 | C31 | C41 | H33 | 52.2° | 56.9° |
| O31 | C31 | C21 | H36 | 54.1° | 56.9° |
| C31 | C21 | C11 | O51 | 59.2° | 57.6° |
| C31 | C21 | C11 | N21 | 114.7° | 120.0° |
| C31 | C21 | C11 | H36 | 123.0° | 119.9° |
| C31 | C21 | C11 | O42 | 176.8° | 177.6° |
| C31 | C21 | N21 | H36 | 122.7° | 120.2° |
| C31 | C21 | N21 | C71 | 139.6° | 155.3° |
| C31 | C21 | C11 | H28 | 63.4° | 62.4° |
| C21 | C31 | C41 | H33 | 69.7° | 63.0° |
| C21 | C31 | O31 | H35 | 56.8° | 60.0° |
| C31 | C21 | N21 | H37 | 40.4° | 24.8° |
| C62 | C52 | C42 | O52 | 120.2° | 120.0° |
| C62 | C52 | C42 | H16 | 119.0° | 120.0° |
| C62 | C52 | C42 | O42 | 74.2° | 62.5° |
| C62 | C52 | C42 | C32 | 171.5° | 177.6° |
| C62 | C52 | O52 | H16 | 117.8° | 120.1° |
| C62 | C52 | O52 | C12 | 175.1° | 178.9° |
| C52 | C62 | H17 | H18 | 119.7° | 120.0° |
| C52 | C62 | O62 | H19 | 180.0° | 180.0° |
| C62 | C52 | C42 | H20 | 47.9° | 57.6° |
| O5 | C5 | C6 | H56 | 118.6° | 119.9° |
| O5 | C5 | C6 | O6 | 53.2° | 65.0° |
| C5 | O5 | C1 | H41 | 152.4° | 58.9° |
| O5 | C5 | C4 | H54 | 56.2° | 62.4° |
| O5 | C5 | C6 | H57 | 173.2° | 175.0° |
| O5 | C5 | C6 | H58 | 66.8° | 55.1° |
| O51 | C11 | C21 | O42 | 117.6° | 120.0° |
| O51 | C11 | C21 | H28 | 122.6° | 120.0° |
| O51 | C11 | O42 | H28 | 123.6° | 120.0° |
| O51 | C11 | C21 | N21 | 173.9° | 177.6° |
| O51 | C11 | O42 | C42 | 80.2° | 68.7° |
| C11 | O51 | C51 | H29 | 59.5° | 58.9° |
| O51 | C11 | C21 | H36 | 63.8° | 62.3° |
| C21 | C11 | O42 | H28 | 118.7° | 120.0° |
| C11 | C21 | N21 | H36 | 121.8° | 120.1° |
| C11 | C21 | N21 | C71 | 104.9° | 85.0° |
| C21 | C11 | O42 | C42 | 162.1° | 171.3° |
| C11 | C21 | C31 | H34 | 64.2° | 63.0° |
| C11 | C21 | N21 | H37 | 75.1° | 95.0° |
| O42 | C11 | C21 | N21 | 68.5° | 62.4° |
| C11 | O42 | C42 | C52 | 131.8° | 103.9° |
| C11 | O42 | C42 | C32 | 108.6° | 136.4° |
| C11 | O42 | C42 | H20 | 10.8° | 16.3° |
| O42 | C11 | C21 | H36 | 53.9° | 57.7° |
| C5 | C6 | O6 | H57 | 120.0° | 120.0° |
| C5 | C6 | O6 | H58 | 120.0° | 120.1° |
| C6 | C5 | C4 | H54 | 65.2° | 57.7° |
| C5 | C6 | H57 | H58 | 120.1° | 120.0° |
| C5 | C6 | O6 | H59 | 180.0° | 180.0° |
| C21 | N21 | C71 | H37 | 180.0° | 180.0° |
| C21 | N21 | C71 | O71 | 180.0° | 0.0° |
| C21 | N21 | C71 | C81 | 0.2° | 180.0° |
| N21 | C21 | C11 | H28 | 51.2° | 57.6° |
| N21 | C21 | C31 | H34 | 49.5° | 57.0° |
| N21 | C71 | O71 | C81 | 179.9° | 180.0° |
| C71 | N21 | C21 | H36 | 16.9° | 35.1° |
| N21 | C71 | C81 | H38 | 179.9° | 0.0° |
| N21 | C71 | C81 | H39 | 60.1° | 120.0° |
| N21 | C71 | C81 | H40 | 59.8° | 119.9° |
| C52 | C42 | O42 | C32 | 119.6° | 119.7° |
| C52 | C42 | O42 | H20 | 121.0° | 120.2° |
| C52 | C42 | C32 | H20 | 123.5° | 120.0° |
| C42 | C52 | O52 | H16 | 120.0° | 120.0° |
| C42 | C52 | O52 | C12 | 52.9° | 61.1° |
| C52 | C42 | C32 | O32 | 168.5° | 176.9° |
| C52 | C42 | C32 | C22 | 49.6° | 57.0° |
| C42 | C52 | C62 | H17 | 46.3° | 54.3° |
| C42 | C52 | C62 | H18 | 166.2° | 65.7° |
| C52 | C42 | C32 | H21 | 71.1° | 62.9° |
| O42 | C42 | C32 | H20 | 120.4° | 120.1° |
| O42 | C42 | C52 | O52 | 165.6° | 177.5° |
| O42 | C42 | C32 | O32 | 75.5° | 63.2° |
| O42 | C42 | C32 | C22 | 165.6° | 176.9° |
| O42 | C42 | C52 | H16 | 44.8° | 57.5° |
| O42 | C42 | C32 | H21 | 44.9° | 57.1° |
| C42 | O42 | C11 | H28 | 43.4° | 51.3° |
| C32 | C42 | C52 | O52 | 51.3° | 57.6° |
| C42 | C32 | O32 | C22 | 121.6° | 119.6° |
| C42 | C32 | O32 | H21 | 119.7° | 120.3° |
| C42 | C32 | C22 | H21 | 120.7° | 119.9° |
| C42 | C32 | C22 | C12 | 46.9° | 57.0° |
| C42 | C32 | C22 | N22 | 162.5° | 176.9° |
| C32 | C42 | C52 | H16 | 69.5° | 62.4° |
| C42 | C32 | O32 | H22 | 180.0° | 179.6° |
| C42 | C32 | C22 | H23 | 77.1° | 62.9° |
| C52 | O52 | C12 | O43 | 165.4° | 178.9° |
| C52 | O52 | C12 | C22 | 51.5° | 61.1° |
| C52 | O52 | C12 | H15 | 73.9° | 58.8° |
| O52 | C52 | C62 | H17 | 168.7° | 174.2° |
| O52 | C52 | C62 | H18 | 71.5° | 54.2° |
| O52 | C52 | C42 | H20 | 72.3° | 62.3° |
| O52 | C12 | O43 | C22 | 119.8° | 119.9° |
| O52 | C12 | O43 | H15 | 120.6° | 120.0° |
| O52 | C12 | O43 | C43 | 137.4° | 68.7° |
| O52 | C12 | C22 | C32 | 47.2° | 57.6° |
| O52 | C12 | C22 | H15 | 126.2° | 119.9° |
| O52 | C12 | C22 | N22 | 161.6° | 177.5° |
| C12 | O52 | C52 | H16 | 67.1° | 58.8° |
| O52 | C12 | C22 | H23 | 76.9° | 62.3° |
| O32 | C32 | C22 | H21 | 119.5° | 120.2° |
| O32 | C32 | C22 | C12 | 166.8° | 176.9° |
| O32 | C32 | C22 | N22 | 77.6° | 63.2° |
| O32 | C32 | C42 | H20 | 44.9° | 56.9° |
| O32 | C32 | C22 | H23 | 42.8° | 57.0° |
| C12 | O43 | C43 | C53 | 177.5° | 103.7° |
| O43 | C12 | C22 | C32 | 160.2° | 177.6° |
| O43 | C12 | C22 | H15 | 120.8° | 120.1° |
| O43 | C12 | C22 | N22 | 85.4° | 62.5° |
| C12 | O43 | C43 | C33 | 58.1° | 136.6° |
| C12 | O43 | C43 | H8 | 60.5° | 16.6° |
| O43 | C12 | C22 | H23 | 36.1° | 57.7° |
| O43 | C43 | C53 | O53 | 111.5° | 177.5° |
| O43 | C43 | C53 | C63 | 126.9° | 62.5° |
| O43 | C43 | C53 | C33 | 121.9° | 119.9° |
| O43 | C43 | C53 | H8 | 117.8° | 120.3° |
| C43 | O43 | C12 | C22 | 102.8° | 171.3° |
| O43 | C43 | C33 | H8 | 119.5° | 120.1° |
| O43 | C43 | C33 | C23 | 70.8° | 176.9° |
| O43 | C43 | C33 | O33 | 168.2° | 63.2° |
| O43 | C43 | C33 | H6 | 49.6° | 57.1° |
| O43 | C43 | C53 | H9 | 9.1° | 57.5° |
| C43 | O43 | C12 | H15 | 16.8° | 51.3° |
| O72 | C72 | N22 | C22 | 0.6° | 0.1° |
| O72 | C72 | N22 | C82 | 179.7° | 179.9° |
| O72 | C72 | N22 | H24 | 179.4° | 180.0° |
| O72 | C72 | C82 | H25 | 0.0° | 90.1° |
| O72 | C72 | C82 | H26 | 120.0° | 29.9° |
| O72 | C72 | C82 | H27 | 120.0° | 150.0° |
| O13 | C13 | O53 | C23 | 118.9° | 120.0° |
| O13 | C13 | O53 | H13 | 121.4° | 120.0° |
| O13 | C13 | C23 | H13 | 120.6° | 120.0° |
| O13 | C13 | O53 | C53 | 166.6° | 178.9° |
| O13 | C13 | C23 | N23 | 92.5° | 62.5° |
| O13 | C13 | C23 | C33 | 149.0° | 177.6° |
| O13 | C13 | C23 | H5 | 28.1° | 57.7° |
| O63 | C63 | C53 | O53 | 54.7° | 65.9° |
| O63 | C63 | C53 | H10 | 120.0° | 120.0° |
| O63 | C63 | C53 | H11 | 120.1° | 120.1° |
| O63 | C63 | C53 | C43 | 175.4° | 174.1° |
| O63 | C63 | C53 | H9 | 66.7° | 54.1° |
| O63 | C63 | H10 | H11 | 119.8° | 120.0° |
| O53 | C13 | C23 | H13 | 120.5° | 120.0° |
| C13 | O53 | C53 | C63 | 170.4° | 178.9° |
| C13 | O53 | C53 | C43 | 51.0° | 61.2° |
| O53 | C13 | C23 | N23 | 148.5° | 177.5° |
| O53 | C13 | C23 | C33 | 30.0° | 57.6° |
| O53 | C13 | C23 | H5 | 90.9° | 62.3° |
| C13 | O53 | C53 | H9 | 68.9° | 58.9° |
| O53 | C13 | O13 | H14 | 180.0° | 60.0° |
| C23 | C13 | O53 | C53 | 74.4° | 61.1° |
| C13 | C23 | N23 | C73 | 104.1° | 85.0° |
| C13 | C23 | N23 | C33 | 120.1° | 119.7° |
| C13 | C23 | N23 | H5 | 120.0° | 120.1° |
| C13 | C23 | C33 | C43 | 26.9° | 57.0° |
| C13 | C23 | C33 | H5 | 120.8° | 119.9° |
| C13 | C23 | C33 | O33 | 93.7° | 176.9° |
| C13 | C23 | N23 | H4 | 75.8° | 95.0° |
| C13 | C23 | C33 | H6 | 147.2° | 62.9° |
| C23 | C13 | O13 | H14 | 61.3° | 179.9° |
| O71 | C71 | N21 | H37 | 0.0° | 180.0° |
| O71 | C71 | C81 | H38 | 0.0° | 180.0° |
| O71 | C71 | C81 | H39 | 120.0° | 60.0° |
| O71 | C71 | C81 | H40 | 120.0° | 60.1° |
| O53 | C53 | C63 | C43 | 120.7° | 120.0° |
| O53 | C53 | C63 | H9 | 121.4° | 120.0° |
| O53 | C53 | C43 | H9 | 120.6° | 120.1° |
| O53 | C53 | C43 | C33 | 10.4° | 57.6° |
| O53 | C53 | C43 | H8 | 130.7° | 62.2° |
| O53 | C53 | C63 | H10 | 65.4° | 174.1° |
| O53 | C53 | C63 | H11 | 174.8° | 54.2° |
| C53 | O53 | C13 | H13 | 45.2° | 58.9° |
| C63 | C53 | C43 | H9 | 117.8° | 120.0° |
| C63 | C53 | C43 | C33 | 111.1° | 177.6° |
| C63 | C53 | C43 | H8 | 9.1° | 57.7° |
| C53 | C63 | H10 | H11 | 119.8° | 120.0° |
| C53 | C63 | O63 | H12 | 180.0° | 180.0° |
| C53 | C43 | C33 | H8 | 120.3° | 119.9° |
| C53 | C43 | C33 | C23 | 49.4° | 56.9° |
| C53 | C43 | C33 | O33 | 71.6° | 176.8° |
| C53 | C43 | C33 | H6 | 169.8° | 62.9° |
| C43 | C53 | C63 | H10 | 55.4° | 54.2° |
| C43 | C53 | C63 | H11 | 64.5° | 65.8° |
| C32 | C22 | C12 | N22 | 114.3° | 119.9° |
| C32 | C22 | C12 | H23 | 124.1° | 119.9° |
| C32 | C22 | N22 | H23 | 119.9° | 120.1° |
| C32 | C22 | N22 | C72 | 125.2° | 155.0° |
| C32 | C22 | C12 | H15 | 79.0° | 62.3° |
| C22 | C32 | C42 | H20 | 73.9° | 63.0° |
| C22 | C32 | O32 | H22 | 58.4° | 60.0° |
| C32 | C22 | N22 | H24 | 54.8° | 25.0° |
| C12 | C22 | N22 | H23 | 120.9° | 120.2° |
| C12 | C22 | N22 | C72 | 115.7° | 85.3° |
| C12 | C22 | C32 | H21 | 73.7° | 62.9° |
| C12 | C22 | N22 | H24 | 64.4° | 94.7° |
| C22 | N22 | C72 | H24 | 180.0° | 179.9° |
| C22 | N22 | C72 | C82 | 179.7° | 180.0° |
| N22 | C22 | C12 | H15 | 35.4° | 57.6° |
| N22 | C22 | C32 | H21 | 41.8° | 57.0° |
| C83 | C73 | N23 | O73 | 179.9° | 180.0° |
| C83 | C73 | N23 | C23 | 179.8° | 180.0° |
| C73 | C83 | H1 | H2 | 120.0° | 120.0° |
| C73 | C83 | H1 | H3 | 120.0° | 120.0° |
| C73 | C83 | H2 | H3 | 120.0° | 120.1° |
| C83 | C73 | N23 | H4 | 0.2° | 0.0° |
| C81 | C71 | N21 | H37 | 179.9° | 0.0° |
| C71 | C81 | H38 | H39 | 120.0° | 120.0° |
| C71 | C81 | H38 | H40 | 120.0° | 120.0° |
| C71 | C81 | H39 | H40 | 119.9° | 120.1° |
| C73 | N23 | C23 | H4 | 180.0° | 179.9° |
| C73 | N23 | C23 | C33 | 135.7° | 155.3° |
| N23 | C73 | C83 | H1 | 179.9° | 180.0° |
| N23 | C73 | C83 | H2 | 60.1° | 60.1° |
| N23 | C73 | C83 | H3 | 59.9° | 60.0° |
| C73 | N23 | C23 | H5 | 15.8° | 35.2° |
| N23 | C23 | C33 | C43 | 91.9° | 176.9° |
| C23 | N23 | C73 | O73 | 0.3° | 0.0° |
| N23 | C23 | C33 | H5 | 120.5° | 120.1° |
| N23 | C23 | C33 | O33 | 147.5° | 63.2° |
| N23 | C23 | C33 | H6 | 28.5° | 57.0° |
| N23 | C23 | C13 | H13 | 28.1° | 57.5° |
| O6 | C6 | C5 | H56 | 65.4° | 54.9° |
| O6 | C6 | H57 | H58 | 120.1° | 120.0° |
| C43 | C33 | C23 | O33 | 120.6° | 119.9° |
| C43 | C33 | C23 | H6 | 120.4° | 119.9° |
| C43 | C33 | O33 | H6 | 117.9° | 120.3° |
| C43 | C33 | C23 | H5 | 147.7° | 63.0° |
| C43 | C33 | O33 | H7 | 180.0° | 179.5° |
| C33 | C43 | C53 | H9 | 131.1° | 62.4° |
| O73 | C73 | C83 | H1 | 0.0° | 0.0° |
| O73 | C73 | C83 | H2 | 120.0° | 120.0° |
| O73 | C73 | C83 | H3 | 120.0° | 120.0° |
| O73 | C73 | N23 | H4 | 179.7° | 179.9° |
| C72 | N22 | C22 | H23 | 5.3° | 34.9° |
| N22 | C72 | C82 | H25 | 179.7° | 90.0° |
| N22 | C72 | C82 | H26 | 60.3° | 150.0° |
| N22 | C72 | C82 | H27 | 59.7° | 29.9° |
| C82 | C72 | N22 | H24 | 0.2° | 0.1° |
| C72 | C82 | H25 | H26 | 120.0° | 120.0° |
| C72 | C82 | H25 | H27 | 120.0° | 120.0° |
| C72 | C82 | H26 | H27 | 120.0° | 120.0° |
| C23 | C33 | O33 | H6 | 118.3° | 120.2° |
| C33 | C23 | N23 | H4 | 44.3° | 24.8° |
| C23 | C33 | O33 | H7 | 56.1° | 60.0° |
| C23 | C33 | C43 | H8 | 169.8° | 63.0° |
| C33 | C23 | C13 | H13 | 90.5° | 62.4° |
| O33 | C33 | C23 | H5 | 27.1° | 56.9° |
| O33 | C33 | C43 | H8 | 48.8° | 56.9° |
| H1 | C83 | H2 | H3 | 120.0° | 119.9° |
| H4 | N23 | C23 | H5 | 164.2° | 144.9° |
| H5 | C23 | C33 | H6 | 92.0° | 177.1° |
| H5 | C23 | C13 | H13 | 148.7° | 177.7° |
| H6 | C33 | O33 | H7 | 62.1° | 60.2° |
| H6 | C33 | C43 | H8 | 69.9° | 177.2° |
| H8 | C43 | C53 | H9 | 108.7° | 177.7° |
| H9 | C53 | C63 | H10 | 173.2° | 65.9° |
| H9 | C53 | C63 | H11 | 53.4° | 174.2° |
| H10 | C63 | O63 | H12 | 59.9° | 60.0° |
| H11 | C63 | O63 | H12 | 60.0° | 59.9° |
| H13 | C13 | O13 | H14 | 58.5° | 60.0° |
| H15 | C12 | C22 | H23 | 156.9° | 177.8° |
| H16 | C52 | C62 | H17 | 72.6° | 65.7° |
| H16 | C52 | C62 | H18 | 47.2° | 174.2° |
| H16 | C52 | C42 | H20 | 166.9° | 177.7° |
| H17 | C62 | O62 | H19 | 59.9° | 60.1° |
| H18 | C62 | O62 | H19 | 59.9° | 60.0° |
| H20 | C42 | C32 | H21 | 165.4° | 177.2° |
| H21 | C32 | O32 | H22 | 60.3° | 60.2° |
| H21 | C32 | C22 | H23 | 162.2° | 177.2° |
| H23 | C22 | N22 | H24 | 174.7° | 145.2° |
| H25 | C82 | H26 | H27 | 120.0° | 120.0° |
| H28 | C11 | C21 | H36 | 173.6° | 177.7° |
| H29 | C51 | C61 | H30 | 172.1° | 65.7° |
| H29 | C51 | C61 | H31 | 67.9° | 174.3° |
| H29 | C51 | C41 | H33 | 170.9° | 177.7° |
| H30 | C61 | O61 | H32 | 60.0° | 59.9° |
| H31 | C61 | O61 | H32 | 60.1° | 60.1° |
| H33 | C41 | C31 | H34 | 171.8° | 177.2° |
| H34 | C31 | O31 | H35 | 61.2° | 60.1° |
| H34 | C31 | C21 | H36 | 172.8° | 177.1° |
| H36 | C21 | N21 | H37 | 163.1° | 144.9° |
| H38 | C81 | H39 | H40 | 120.0° | 120.0° |
| H41 | C1 | C2 | H42 | 88.5° | 177.7° |
| H42 | C2 | C3 | H52 | 134.9° | 177.2° |
| H43 | C9 | H44 | H45 | 120.0° | 120.0° |
| H46 | C8 | H47 | H48 | 120.0° | 120.0° |
| H49 | C7 | H50 | H51 | 120.0° | 120.0° |
| H52 | C3 | O3 | H53 | 61.4° | 59.8° |
| H52 | C3 | C4 | H54 | 179.5° | 177.2° |
| H54 | C4 | O4 | H55 | 59.8° | 59.8° |
| H54 | C4 | C5 | H56 | 176.4° | 177.7° |
| H56 | C5 | C6 | H57 | 54.5° | 65.0° |
| H56 | C5 | C6 | H58 | 174.6° | 175.0° |
| H57 | C6 | O6 | H59 | 60.1° | 60.0° |
| H58 | C6 | O6 | H59 | 60.0° | 59.9° |
