K4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM6 | N61 | sing | 1.47Å | 1.47Å | |
| CM3 | N31 | sing | 1.46Å | 1.47Å | |
| O61 | C61 | doub | 1.22Å | 1.22Å | |
| CM5 | N51 | sing | 1.47Å | 1.47Å | |
| CM4 | N41 | sing | 1.47Å | 1.47Å | |
| N61 | C65 | sing | 1.36Å | 1.38Å | Aromatic |
| N61 | C62 | sing | 1.38Å | 1.40Å | Aromatic |
| O41 | C41 | doub | 1.22Å | 1.23Å | |
| C55 | N51 | sing | 1.36Å | 1.39Å | Aromatic |
| C55 | C54 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | N31 | sing | 1.36Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.37Å | Aromatic |
| N31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| N51 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C61 | C62 | sing | 1.47Å | 1.49Å | |
| C61 | N52 | sing | 1.35Å | 1.39Å | |
| C65 | C64 | doub | 1.36Å | 1.37Å | Aromatic |
| C62 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| O31 | C31 | doub | 1.22Å | 1.22Å | |
| N41 | C42 | sing | 1.37Å | 1.40Å | Aromatic |
| N41 | C44 | sing | 1.36Å | 1.37Å | Aromatic |
| C41 | C42 | sing | 1.47Å | 1.51Å | |
| C41 | N32 | sing | 1.35Å | 1.40Å | |
| C54 | N52 | sing | 1.41Å | 1.40Å | |
| C54 | C53 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | N32 | sing | 1.41Å | 1.40Å | |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| O71 | C71 | doub | 1.22Å | 1.22Å | |
| C32 | C31 | sing | 1.47Å | 1.49Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | C51 | sing | 1.47Å | 1.49Å | |
| C31 | N22 | sing | 1.35Å | 1.39Å | |
| C42 | N42 | doub | 1.32Å | 1.33Å | Aromatic |
| O51 | C51 | doub | 1.22Å | 1.22Å | |
| C64 | C63 | sing | 1.40Å | 1.42Å | Aromatic |
| C64 | N62 | sing | 1.41Å | 1.40Å | |
| C44 | C43 | doub | 1.36Å | 1.37Å | Aromatic |
| C51 | N91 | sing | 1.35Å | 1.37Å | |
| CM7 | N71 | sing | 1.47Å | 1.47Å | |
| C71 | N62 | sing | 1.35Å | 1.39Å | |
| C71 | C72 | sing | 1.47Å | 1.49Å | |
| C25 | N21 | sing | 1.36Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| CM2 | N21 | sing | 1.47Å | 1.47Å | |
| N42 | C43 | sing | 1.33Å | 1.37Å | Aromatic |
| C43 | N43 | sing | 1.40Å | 1.37Å | |
| N22 | C24 | sing | 1.41Å | 1.40Å | |
| N21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| O91 | C91 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| N71 | C72 | sing | 1.38Å | 1.40Å | Aromatic |
| N71 | C75 | sing | 1.36Å | 1.38Å | Aromatic |
| N91 | C94 | sing | 1.47Å | 1.47Å | |
| C72 | C73 | doub | 1.38Å | 1.38Å | Aromatic |
| N43 | C91 | sing | 1.35Å | 1.38Å | |
| C91 | C92 | sing | 1.51Å | 1.55Å | |
| C94 | C93 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.47Å | 1.49Å | |
| C75 | C74 | doub | 1.36Å | 1.37Å | Aromatic |
| C73 | C74 | sing | 1.40Å | 1.42Å | Aromatic |
| O21 | C21 | doub | 1.22Å | 1.22Å | |
| C92 | C93 | sing | 1.53Å | 1.55Å | |
| C92 | N1 | sing | 1.47Å | 1.54Å | |
| C21 | N12 | sing | 1.35Å | 1.39Å | |
| C74 | N72 | sing | 1.41Å | 1.40Å | |
| N12 | C14 | sing | 1.41Å | 1.40Å | |
| N72 | C81 | sing | 1.35Å | 1.40Å | |
| O81 | C81 | doub | 1.22Å | 1.23Å | |
| C81 | C82 | sing | 1.47Å | 1.50Å | |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | N11 | sing | 1.36Å | 1.39Å | Aromatic |
| C82 | N82 | doub | 1.32Å | 1.33Å | Aromatic |
| C82 | N81 | sing | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| N11 | CM1 | sing | 1.47Å | 1.47Å | |
| N11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C88 | N81 | sing | 1.47Å | 1.47Å | |
| N82 | C84 | sing | 1.33Å | 1.38Å | Aromatic |
| N81 | C83 | sing | 1.36Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.49Å | |
| C84 | C83 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | N03 | sing | 1.35Å | 1.38Å | |
| C11 | O11 | doub | 1.22Å | 1.22Å | |
| N03 | C08 | sing | 1.46Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | O01 | doub | 1.21Å | 1.22Å | |
| C06 | N02 | sing | 1.35Å | 1.38Å | |
| N02 | C05 | sing | 1.47Å | 1.47Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | N01 | sing | 1.47Å | 1.53Å | |
| C02 | N01 | sing | 1.47Å | 1.53Å | |
| N01 | C01 | sing | 1.47Å | 1.53Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C01 | H006 | sing | 1.09Å | 1.10Å | |
| C01 | H004 | sing | 1.09Å | 1.10Å | |
| C01 | H005 | sing | 1.09Å | 1.10Å | |
| C02 | H002 | sing | 1.09Å | 1.10Å | |
| C02 | H003 | sing | 1.09Å | 1.10Å | |
| C02 | H001 | sing | 1.09Å | 1.10Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N12 | HN1 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| CM1 | H113 | sing | 1.09Å | 1.10Å | |
| CM1 | H112 | sing | 1.09Å | 1.10Å | |
| CM1 | H111 | sing | 1.09Å | 1.10Å | |
| N22 | HN2 | sing | 0.97Å | 1.00Å | |
| N32 | HN3 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| CM2 | H223 | sing | 1.09Å | 1.10Å | |
| CM2 | H222 | sing | 1.09Å | 1.10Å | |
| CM2 | H221 | sing | 1.09Å | 1.10Å | |
| N43 | HN4 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N91 | HN9 | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| N52 | HN5 | sing | 0.97Å | 1.00Å | |
| CM3 | H331 | sing | 1.09Å | 1.10Å | |
| CM3 | H333 | sing | 1.09Å | 1.10Å | |
| CM3 | H332 | sing | 1.09Å | 1.10Å | |
| N62 | HN6 | sing | 0.97Å | 1.00Å | |
| N72 | HN7 | sing | 0.97Å | 1.00Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| CM4 | H442 | sing | 1.09Å | 1.10Å | |
| CM4 | H441 | sing | 1.09Å | 1.10Å | |
| CM4 | H443 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| CM5 | H551 | sing | 1.09Å | 1.10Å | |
| CM5 | H552 | sing | 1.09Å | 1.10Å | |
| CM5 | H553 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| CM6 | H662 | sing | 1.09Å | 1.10Å | |
| CM6 | H663 | sing | 1.09Å | 1.10Å | |
| CM6 | H661 | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.08Å | 1.08Å | |
| CM7 | H773 | sing | 1.09Å | 1.10Å | |
| CM7 | H772 | sing | 1.09Å | 1.10Å | |
| CM7 | H771 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | sing | 1.09Å | 1.10Å | |
| C93 | H931 | sing | 1.09Å | 1.10Å | |
| C93 | H932 | sing | 1.09Å | 1.10Å | |
| C94 | H943 | sing | 1.09Å | 1.10Å | |
| C94 | H942 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C73 | H73 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C83 | H84 | sing | 1.08Å | 1.08Å | |
| C88 | H881 | sing | 1.09Å | 1.10Å | |
| C88 | H883 | sing | 1.09Å | 1.10Å | |
| C88 | H882 | sing | 1.09Å | 1.10Å | |
| C84 | H83 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N01 | HN01 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM6 | N61 | C65 | 122.1° | 125.6° |
| CM6 | N61 | C62 | 128.6° | 125.6° |
| N61 | CM6 | H662 | 109.5° | 109.5° |
| N61 | CM6 | H663 | 109.5° | 109.5° |
| N61 | CM6 | H661 | 109.5° | 109.5° |
| CM3 | N31 | C35 | 121.8° | 125.7° |
| CM3 | N31 | C32 | 129.0° | 125.6° |
| N31 | CM3 | H331 | 109.5° | 109.5° |
| N31 | CM3 | H333 | 109.5° | 109.5° |
| N31 | CM3 | H332 | 109.5° | 109.5° |
| O61 | C61 | C62 | 121.9° | 120.0° |
| O61 | C61 | N52 | 120.9° | 120.0° |
| CM5 | N51 | C55 | 123.5° | 125.6° |
| CM5 | N51 | C52 | 127.8° | 125.7° |
| N51 | CM5 | H551 | 109.5° | 109.5° |
| N51 | CM5 | H552 | 109.5° | 109.5° |
| N51 | CM5 | H553 | 109.5° | 109.5° |
| CM4 | N41 | C42 | 130.0° | 126.5° |
| CM4 | N41 | C44 | 123.8° | 126.4° |
| N41 | CM4 | H442 | 109.5° | 109.5° |
| N41 | CM4 | H441 | 109.5° | 109.5° |
| N41 | CM4 | H443 | 109.5° | 109.4° |
| C65 | N61 | C62 | 109.0° | 108.7° |
| N61 | C65 | C64 | 108.2° | 108.8° |
| N61 | C65 | H65 | 125.9° | 125.6° |
| N61 | C62 | C61 | 120.2° | 126.2° |
| N61 | C62 | C63 | 107.3° | 107.7° |
| O41 | C41 | C42 | 121.9° | 120.0° |
| O41 | C41 | N32 | 121.0° | 120.0° |
| N51 | C55 | C54 | 107.8° | 108.8° |
| C55 | N51 | C52 | 108.7° | 108.7° |
| N51 | C55 | H55 | 126.1° | 125.6° |
| C55 | C54 | N52 | 127.1° | 126.2° |
| C55 | C54 | C53 | 108.1° | 107.8° |
| C54 | C55 | H55 | 126.1° | 125.6° |
| N31 | C35 | C34 | 107.9° | 108.8° |
| C35 | N31 | C32 | 109.1° | 108.7° |
| N31 | C35 | H35 | 126.0° | 125.6° |
| C35 | C34 | N32 | 125.5° | 126.1° |
| C35 | C34 | C33 | 108.1° | 107.7° |
| C34 | C35 | H35 | 126.0° | 125.6° |
| N31 | C32 | C31 | 120.3° | 126.1° |
| N31 | C32 | C33 | 107.3° | 107.7° |
| N51 | C52 | C53 | 107.5° | 107.7° |
| N51 | C52 | C51 | 122.2° | 126.2° |
| C62 | C61 | N52 | 117.2° | 120.0° |
| C61 | C62 | C63 | 132.5° | 126.2° |
| C61 | N52 | C54 | 125.9° | 120.0° |
| C61 | N52 | HN5 | 117.1° | 120.0° |
| C65 | C64 | C63 | 107.7° | 107.7° |
| C65 | C64 | N62 | 125.6° | 126.1° |
| C64 | C65 | H65 | 125.9° | 125.6° |
| C62 | C63 | C64 | 107.8° | 107.1° |
| C62 | C63 | H63 | 126.1° | 126.4° |
| O31 | C31 | C32 | 121.4° | 120.0° |
| O31 | C31 | N22 | 120.4° | 120.0° |
| C42 | N41 | C44 | 106.1° | 107.1° |
| N41 | C42 | C41 | 119.7° | 125.8° |
| N41 | C42 | N42 | 111.3° | 108.5° |
| N41 | C44 | C43 | 106.4° | 107.0° |
| N41 | C44 | H44 | 126.8° | 126.5° |
| C42 | C41 | N32 | 117.1° | 120.0° |
| C41 | C42 | N42 | 129.0° | 125.8° |
| C41 | N32 | C34 | 126.0° | 120.0° |
| C41 | N32 | HN3 | 117.0° | 120.0° |
| N52 | C54 | C53 | 124.8° | 126.1° |
| C54 | N52 | HN5 | 117.0° | 120.0° |
| C54 | C53 | C52 | 107.9° | 107.1° |
| C54 | C53 | H53 | 126.0° | 126.5° |
| N32 | C34 | C33 | 126.4° | 126.1° |
| C34 | N32 | HN3 | 117.0° | 120.0° |
| C34 | C33 | C32 | 107.5° | 107.1° |
| C34 | C33 | H33 | 126.3° | 126.4° |
| O71 | C71 | N62 | 121.3° | 120.0° |
| O71 | C71 | C72 | 120.5° | 120.0° |
| C31 | C32 | C33 | 132.4° | 126.2° |
| C32 | C31 | N22 | 118.1° | 120.0° |
| C32 | C33 | H33 | 126.3° | 126.5° |
| C53 | C52 | C51 | 130.2° | 126.2° |
| C52 | C53 | H53 | 126.0° | 126.4° |
| C52 | C51 | O51 | 125.2° | 120.0° |
| C52 | C51 | N91 | 113.2° | 120.0° |
| C31 | N22 | C24 | 124.2° | 120.0° |
| C31 | N22 | HN2 | 117.9° | 120.0° |
| C42 | N42 | C43 | 104.9° | 109.2° |
| O51 | C51 | N91 | 121.6° | 120.0° |
| C63 | C64 | N62 | 126.7° | 126.1° |
| C64 | C63 | H63 | 126.1° | 126.5° |
| C64 | N62 | C71 | 125.4° | 120.0° |
| C64 | N62 | HN6 | 117.3° | 120.0° |
| C44 | C43 | N42 | 111.2° | 108.2° |
| C44 | C43 | N43 | 124.4° | 125.9° |
| C43 | C44 | H44 | 126.8° | 126.5° |
| C51 | N91 | C94 | 125.1° | 120.0° |
| C51 | N91 | HN9 | 117.4° | 120.1° |
| CM7 | N71 | C72 | 129.0° | 125.7° |
| CM7 | N71 | C75 | 121.7° | 125.7° |
| N71 | CM7 | H773 | 109.5° | 109.4° |
| N71 | CM7 | H772 | 109.5° | 109.5° |
| N71 | CM7 | H771 | 109.5° | 109.4° |
| N62 | C71 | C72 | 118.2° | 120.0° |
| C71 | N62 | HN6 | 117.3° | 120.0° |
| C71 | C72 | N71 | 120.7° | 126.2° |
| C71 | C72 | C73 | 132.0° | 126.1° |
| N21 | C25 | C24 | 107.8° | 108.8° |
| C25 | N21 | CM2 | 122.1° | 125.7° |
| C25 | N21 | C22 | 109.0° | 108.7° |
| N21 | C25 | H25 | 126.1° | 125.6° |
| C25 | C24 | N22 | 125.1° | 126.2° |
| C25 | C24 | C23 | 108.2° | 107.7° |
| C24 | C25 | H25 | 126.1° | 125.6° |
| CM2 | N21 | C22 | 128.9° | 125.6° |
| N21 | CM2 | H223 | 109.5° | 109.4° |
| N21 | CM2 | H222 | 109.4° | 109.5° |
| N21 | CM2 | H221 | 109.5° | 109.5° |
| N42 | C43 | N43 | 124.4° | 125.9° |
| C43 | N43 | C91 | 128.8° | 120.0° |
| C43 | N43 | HN4 | 115.6° | 120.0° |
| N22 | C24 | C23 | 126.7° | 126.1° |
| C24 | N22 | HN2 | 117.9° | 120.0° |
| N21 | C22 | C23 | 107.3° | 107.6° |
| N21 | C22 | C21 | 121.0° | 126.2° |
| O91 | C91 | N43 | 123.8° | 120.0° |
| O91 | C91 | C92 | 120.6° | 120.0° |
| C24 | C23 | C22 | 107.6° | 107.1° |
| C24 | C23 | H23 | 126.2° | 126.5° |
| C72 | N71 | C75 | 109.2° | 108.7° |
| N71 | C72 | C73 | 107.2° | 107.7° |
| N71 | C75 | C74 | 107.6° | 108.8° |
| N71 | C75 | H75 | 126.2° | 125.6° |
| N91 | C94 | C93 | 111.5° | 109.5° |
| C94 | N91 | HN9 | 117.5° | 119.9° |
| N91 | C94 | H943 | 108.9° | 109.4° |
| N91 | C94 | H942 | 109.0° | 109.4° |
| C72 | C73 | C74 | 107.4° | 107.1° |
| C72 | C73 | H73 | 126.3° | 126.5° |
| N43 | C91 | C92 | 115.7° | 120.0° |
| C91 | N43 | HN4 | 115.6° | 120.0° |
| C91 | C92 | C93 | 113.8° | 109.5° |
| C91 | C92 | N1 | 112.3° | 109.5° |
| C91 | C92 | H922 | 105.6° | 109.4° |
| C94 | C93 | C92 | 116.1° | 109.5° |
| C94 | C93 | H931 | 107.8° | 109.5° |
| C94 | C93 | H932 | 107.8° | 109.5° |
| C93 | C94 | H943 | 109.0° | 109.5° |
| C93 | C94 | H942 | 109.0° | 109.5° |
| C23 | C22 | C21 | 131.7° | 126.2° |
| C22 | C23 | H23 | 126.2° | 126.4° |
| C22 | C21 | O21 | 122.3° | 120.0° |
| C22 | C21 | N12 | 116.6° | 120.0° |
| C75 | C74 | C73 | 108.6° | 107.7° |
| C75 | C74 | N72 | 125.5° | 126.1° |
| C74 | C75 | H75 | 126.2° | 125.6° |
| C73 | C74 | N72 | 126.0° | 126.1° |
| C74 | C73 | H73 | 126.3° | 126.4° |
| O21 | C21 | N12 | 121.1° | 120.0° |
| C93 | C92 | N1 | 113.1° | 109.5° |
| C93 | C92 | H922 | 105.6° | 109.5° |
| C92 | C93 | H931 | 107.8° | 109.5° |
| C92 | C93 | H932 | 107.8° | 109.5° |
| N1 | C92 | H922 | 105.7° | 109.5° |
| C92 | N1 | H3 | 109.5° | 109.4° |
| C92 | N1 | H1 | 109.5° | 109.4° |
| C92 | N1 | H2 | 109.5° | 109.5° |
| C21 | N12 | C14 | 126.2° | 120.0° |
| C21 | N12 | HN1 | 116.9° | 120.0° |
| C74 | N72 | C81 | 127.1° | 120.0° |
| C74 | N72 | HN7 | 116.4° | 120.0° |
| N12 | C14 | C15 | 127.0° | 126.1° |
| N12 | C14 | C13 | 124.8° | 126.1° |
| C14 | N12 | HN1 | 116.9° | 120.0° |
| N72 | C81 | O81 | 121.8° | 120.0° |
| N72 | C81 | C82 | 114.8° | 120.0° |
| C81 | N72 | HN7 | 116.5° | 120.0° |
| O81 | C81 | C82 | 123.4° | 120.0° |
| C81 | C82 | N82 | 127.5° | 125.8° |
| C81 | C82 | N81 | 121.0° | 125.9° |
| C15 | C14 | C13 | 108.1° | 107.8° |
| C14 | C15 | N11 | 107.6° | 108.8° |
| C14 | C15 | H15 | 126.2° | 125.6° |
| C14 | C13 | C12 | 107.7° | 107.1° |
| C14 | C13 | H13 | 126.2° | 126.4° |
| C15 | N11 | CM1 | 122.8° | 125.7° |
| C15 | N11 | C12 | 108.7° | 108.7° |
| N11 | C15 | H15 | 126.2° | 125.6° |
| N82 | C82 | N81 | 111.5° | 108.3° |
| C82 | N82 | C84 | 105.1° | 109.2° |
| C82 | N81 | C88 | 129.7° | 126.5° |
| C82 | N81 | C83 | 105.9° | 107.0° |
| C13 | C12 | N11 | 107.5° | 107.7° |
| C13 | C12 | C11 | 130.0° | 126.1° |
| C12 | C13 | H13 | 126.2° | 126.5° |
| CM1 | N11 | C12 | 128.4° | 125.6° |
| N11 | CM1 | H113 | 109.5° | 109.5° |
| N11 | CM1 | H112 | 109.5° | 109.5° |
| N11 | CM1 | H111 | 109.5° | 109.5° |
| N11 | C12 | C11 | 122.3° | 126.2° |
| C88 | N81 | C83 | 124.3° | 126.5° |
| N81 | C88 | H881 | 109.5° | 109.5° |
| N81 | C88 | H883 | 109.5° | 109.4° |
| N81 | C88 | H882 | 109.5° | 109.5° |
| N82 | C84 | C83 | 110.9° | 108.3° |
| N82 | C84 | H83 | 124.5° | 125.8° |
| N81 | C83 | C84 | 106.5° | 107.1° |
| N81 | C83 | H84 | 126.7° | 126.5° |
| C12 | C11 | N03 | 115.2° | 120.0° |
| C12 | C11 | O11 | 124.2° | 120.0° |
| C84 | C83 | H84 | 126.8° | 126.4° |
| C83 | C84 | H83 | 124.6° | 125.8° |
| N03 | C11 | O11 | 120.6° | 120.0° |
| C11 | N03 | C08 | 123.4° | 120.0° |
| C11 | N03 | HN03 | 118.3° | 120.0° |
| N03 | C08 | C07 | 112.0° | 109.5° |
| C08 | N03 | HN03 | 118.3° | 120.0° |
| N03 | C08 | H082 | 108.8° | 109.5° |
| N03 | C08 | H081 | 108.8° | 109.5° |
| C08 | C07 | C06 | 112.0° | 109.5° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| C07 | C08 | H081 | 108.9° | 109.5° |
| C08 | C07 | H071 | 108.8° | 109.5° |
| C08 | C07 | H072 | 108.8° | 109.5° |
| C07 | C06 | O01 | 122.2° | 120.0° |
| C07 | C06 | N02 | 116.1° | 120.0° |
| C06 | C07 | H071 | 108.8° | 109.4° |
| C06 | C07 | H072 | 108.8° | 109.4° |
| O01 | C06 | N02 | 121.5° | 120.0° |
| C06 | N02 | C05 | 122.0° | 120.0° |
| C06 | N02 | HN02 | 119.0° | 120.0° |
| N02 | C05 | C04 | 114.0° | 109.5° |
| N02 | C05 | H051 | 108.4° | 109.5° |
| N02 | C05 | H052 | 108.3° | 109.5° |
| C05 | N02 | HN02 | 119.0° | 120.0° |
| C05 | C04 | C03 | 112.9° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.4° |
| C05 | C04 | H042 | 108.6° | 109.5° |
| C04 | C05 | H051 | 108.3° | 109.5° |
| C04 | C05 | H052 | 108.4° | 109.5° |
| C04 | C03 | N01 | 113.3° | 109.5° |
| C04 | C03 | H032 | 108.5° | 109.5° |
| C04 | C03 | H031 | 108.5° | 109.5° |
| C03 | C04 | H041 | 108.6° | 109.5° |
| C03 | C04 | H042 | 108.6° | 109.5° |
| C03 | N01 | C02 | 110.1° | 109.5° |
| C03 | N01 | C01 | 111.3° | 109.5° |
| N01 | C03 | H032 | 108.5° | 109.4° |
| N01 | C03 | H031 | 108.5° | 109.5° |
| C03 | N01 | HN01 | 108.8° | 109.4° |
| C02 | N01 | C01 | 109.0° | 109.5° |
| N01 | C02 | H002 | 109.5° | 109.5° |
| N01 | C02 | H003 | 109.5° | 109.5° |
| N01 | C02 | H001 | 109.5° | 109.5° |
| C02 | N01 | HN01 | 108.8° | 109.5° |
| N01 | C01 | H006 | 109.5° | 109.5° |
| N01 | C01 | H004 | 109.4° | 109.5° |
| N01 | C01 | H005 | 109.5° | 109.5° |
| C01 | N01 | HN01 | 108.8° | 109.5° |
| H032 | C03 | H031 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H006 | C01 | H004 | 109.5° | 109.5° |
| H006 | C01 | H005 | 109.5° | 109.5° |
| H004 | C01 | H005 | 109.5° | 109.4° |
| H002 | C02 | H003 | 109.4° | 109.5° |
| H002 | C02 | H001 | 109.5° | 109.4° |
| H003 | C02 | H001 | 109.5° | 109.4° |
| H113 | CM1 | H112 | 109.4° | 109.5° |
| H113 | CM1 | H111 | 109.5° | 109.5° |
| H112 | CM1 | H111 | 109.5° | 109.5° |
| H223 | CM2 | H222 | 109.5° | 109.5° |
| H223 | CM2 | H221 | 109.5° | 109.4° |
| H222 | CM2 | H221 | 109.5° | 109.5° |
| H331 | CM3 | H333 | 109.4° | 109.4° |
| H331 | CM3 | H332 | 109.5° | 109.5° |
| H333 | CM3 | H332 | 109.5° | 109.5° |
| H442 | CM4 | H441 | 109.5° | 109.5° |
| H442 | CM4 | H443 | 109.5° | 109.4° |
| H441 | CM4 | H443 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H551 | CM5 | H552 | 109.5° | 109.5° |
| H551 | CM5 | H553 | 109.5° | 109.5° |
| H552 | CM5 | H553 | 109.5° | 109.5° |
| H662 | CM6 | H663 | 109.5° | 109.5° |
| H662 | CM6 | H661 | 109.5° | 109.5° |
| H663 | CM6 | H661 | 109.4° | 109.4° |
| H773 | CM7 | H772 | 109.4° | 109.5° |
| H773 | CM7 | H771 | 109.5° | 109.5° |
| H772 | CM7 | H771 | 109.4° | 109.5° |
| H931 | C93 | H932 | 109.5° | 109.4° |
| H943 | C94 | H942 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H3 | N1 | H1 | 109.5° | 109.5° |
| H3 | N1 | H2 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 109.5° |
| H881 | C88 | H883 | 109.5° | 109.5° |
| H881 | C88 | H882 | 109.4° | 109.5° |
| H883 | C88 | H882 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM6 | N61 | C65 | C62 | 174.3° | 179.7° |
| CM6 | N61 | C62 | C61 | 6.6° | 0.3° |
| CM6 | N61 | C65 | C64 | 171.9° | 179.7° |
| CM6 | N61 | C62 | C63 | 172.9° | 179.7° |
| CM6 | N61 | C65 | H65 | 8.2° | 0.2° |
| N61 | CM6 | H662 | H663 | 120.0° | 120.0° |
| N61 | CM6 | H662 | H661 | 120.0° | 120.0° |
| N61 | CM6 | H663 | H661 | 120.0° | 120.0° |
| CM3 | N31 | C35 | C32 | 176.5° | 179.7° |
| CM3 | N31 | C35 | C34 | 173.0° | 179.7° |
| CM3 | N31 | C32 | C31 | 9.0° | 0.4° |
| CM3 | N31 | C32 | C33 | 173.0° | 179.7° |
| CM3 | N31 | C35 | H35 | 7.0° | 0.4° |
| N31 | CM3 | H331 | H333 | 120.0° | 120.0° |
| N31 | CM3 | H331 | H332 | 120.0° | 120.1° |
| N31 | CM3 | H333 | H332 | 120.0° | 120.1° |
| O61 | C61 | C62 | N61 | 14.4° | 5.1° |
| O61 | C61 | C62 | N52 | 178.0° | 180.0° |
| O61 | C61 | C62 | C63 | 166.3° | 174.9° |
| O61 | C61 | N52 | C54 | 1.2° | 5.3° |
| O61 | C61 | N52 | HN5 | 178.9° | 174.7° |
| CM5 | N51 | C55 | C52 | 179.4° | 179.7° |
| CM5 | N51 | C55 | C54 | 178.0° | 179.8° |
| CM5 | N51 | C52 | C53 | 177.3° | 179.7° |
| CM5 | N51 | C52 | C51 | 5.0° | 0.3° |
| CM5 | N51 | C55 | H55 | 2.0° | 0.2° |
| N51 | CM5 | H551 | H552 | 120.0° | 120.0° |
| N51 | CM5 | H551 | H553 | 120.0° | 120.0° |
| N51 | CM5 | H552 | H553 | 120.0° | 120.0° |
| CM4 | N41 | C42 | C44 | 175.5° | 179.8° |
| CM4 | N41 | C42 | C41 | 8.8° | 0.3° |
| CM4 | N41 | C42 | N42 | 171.9° | 179.8° |
| CM4 | N41 | C44 | C43 | 172.9° | 179.8° |
| CM4 | N41 | C44 | H44 | 7.1° | 0.2° |
| N41 | CM4 | H442 | H441 | 120.0° | 120.0° |
| N41 | CM4 | H442 | H443 | 120.0° | 119.9° |
| N41 | CM4 | H441 | H443 | 120.0° | 119.9° |
| C65 | N61 | C62 | C61 | 179.6° | 180.0° |
| N61 | C65 | C64 | H65 | 180.0° | 179.9° |
| C65 | N61 | C62 | C63 | 0.9° | 0.0° |
| N61 | C65 | C64 | C63 | 3.0° | 0.0° |
| N61 | C65 | C64 | N62 | 176.0° | 179.9° |
| C65 | N61 | CM6 | H662 | 180.0° | 95.1° |
| C65 | N61 | CM6 | H663 | 60.0° | 144.9° |
| C65 | N61 | CM6 | H661 | 60.0° | 24.9° |
| N61 | C62 | C61 | C63 | 179.3° | 180.0° |
| N61 | C62 | C61 | N52 | 163.6° | 174.9° |
| C62 | N61 | C65 | C64 | 2.4° | 0.0° |
| N61 | C62 | C63 | C64 | 0.9° | 0.0° |
| N61 | C62 | C63 | H63 | 179.0° | 180.0° |
| C62 | N61 | C65 | H65 | 177.6° | 179.9° |
| C62 | N61 | CM6 | H662 | 6.9° | 84.6° |
| C62 | N61 | CM6 | H663 | 113.1° | 35.5° |
| C62 | N61 | CM6 | H661 | 126.9° | 155.4° |
| O41 | C41 | C42 | N41 | 6.0° | 0.0° |
| O41 | C41 | C42 | N32 | 179.8° | 179.9° |
| O41 | C41 | N32 | C34 | 1.2° | 0.0° |
| O41 | C41 | C42 | N42 | 173.1° | 180.0° |
| O41 | C41 | N32 | HN3 | 178.8° | 180.0° |
| N51 | C55 | C54 | H55 | 180.0° | 180.0° |
| N51 | C55 | C54 | N52 | 179.6° | 180.0° |
| N51 | C55 | C54 | C53 | 0.2° | 0.0° |
| C55 | N51 | C52 | C53 | 2.0° | 0.0° |
| C55 | N51 | C52 | C51 | 175.6° | 180.0° |
| C55 | N51 | CM5 | H551 | 180.0° | 85.6° |
| C55 | N51 | CM5 | H552 | 60.0° | 34.4° |
| C55 | N51 | CM5 | H553 | 60.0° | 154.4° |
| C54 | C55 | N51 | C52 | 1.4° | 0.0° |
| C55 | C54 | N52 | C61 | 11.8° | 180.0° |
| C55 | C54 | N52 | C53 | 179.7° | 180.0° |
| C55 | C54 | C53 | C52 | 1.1° | 0.0° |
| C55 | C54 | N52 | HN5 | 168.2° | 0.0° |
| C55 | C54 | C53 | H53 | 179.0° | 180.0° |
| N31 | C35 | C34 | H35 | 180.0° | 179.9° |
| N31 | C35 | C34 | N32 | 177.3° | 180.0° |
| N31 | C35 | C34 | C33 | 2.5° | 0.1° |
| C35 | N31 | C32 | C31 | 174.9° | 180.0° |
| C35 | N31 | C32 | C33 | 3.2° | 0.0° |
| C35 | N31 | CM3 | H331 | 180.0° | 85.6° |
| C35 | N31 | CM3 | H333 | 60.0° | 34.3° |
| C35 | N31 | CM3 | H332 | 60.0° | 154.4° |
| C34 | C35 | N31 | C32 | 3.5° | 0.1° |
| C35 | C34 | N32 | C41 | 6.0° | 179.9° |
| C35 | C34 | N32 | C33 | 179.7° | 179.9° |
| C35 | C34 | C33 | C32 | 0.5° | 0.0° |
| C35 | C34 | N32 | HN3 | 174.0° | 0.0° |
| C35 | C34 | C33 | H33 | 179.5° | 180.0° |
| N31 | C32 | C31 | O31 | 2.6° | 5.0° |
| N31 | C32 | C33 | C34 | 1.6° | 0.0° |
| N31 | C32 | C31 | C33 | 177.5° | 179.9° |
| N31 | C32 | C31 | N22 | 176.7° | 175.0° |
| C32 | N31 | C35 | H35 | 176.5° | 180.0° |
| C32 | N31 | CM3 | H331 | 4.3° | 94.8° |
| C32 | N31 | CM3 | H333 | 115.7° | 145.3° |
| C32 | N31 | CM3 | H332 | 124.3° | 25.2° |
| N31 | C32 | C33 | H33 | 178.4° | 180.0° |
| N51 | C52 | C53 | C54 | 1.9° | 0.0° |
| N51 | C52 | C53 | C51 | 177.4° | 180.0° |
| N51 | C52 | C51 | O51 | 3.4° | 5.2° |
| N51 | C52 | C51 | N91 | 174.7° | 174.8° |
| N51 | C52 | C53 | H53 | 178.1° | 180.0° |
| C52 | N51 | C55 | H55 | 178.6° | 180.0° |
| C52 | N51 | CM5 | H551 | 0.7° | 94.8° |
| C52 | N51 | CM5 | H552 | 119.3° | 145.3° |
| C52 | N51 | CM5 | H553 | 120.7° | 25.2° |
| C62 | C61 | N52 | C54 | 176.8° | 174.8° |
| C61 | C62 | C63 | C64 | 178.5° | 180.0° |
| C62 | C61 | N52 | HN5 | 3.2° | 5.3° |
| C61 | C62 | C63 | H63 | 1.6° | 0.0° |
| N52 | C61 | C62 | C63 | 15.8° | 5.1° |
| C61 | N52 | C54 | HN5 | 180.0° | 180.0° |
| C61 | N52 | C54 | C53 | 167.9° | 0.0° |
| C65 | C64 | C63 | C62 | 2.4° | 0.1° |
| C65 | C64 | C63 | N62 | 179.0° | 179.9° |
| C65 | C64 | N62 | C71 | 5.9° | 180.0° |
| C65 | C64 | N62 | HN6 | 174.1° | 0.1° |
| C65 | C64 | C63 | H63 | 177.5° | 180.0° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | N62 | 176.5° | 180.0° |
| O31 | C31 | C32 | N22 | 179.3° | 180.0° |
| O31 | C31 | C32 | C33 | 174.8° | 175.0° |
| O31 | C31 | N22 | C24 | 9.0° | 5.3° |
| O31 | C31 | N22 | HN2 | 171.0° | 174.8° |
| N41 | C42 | C41 | N42 | 179.1° | 180.0° |
| N41 | C42 | C41 | N32 | 173.7° | 180.0° |
| C42 | N41 | C44 | C43 | 3.0° | 0.0° |
| N41 | C42 | N42 | C43 | 2.7° | 0.0° |
| C42 | N41 | C44 | H44 | 177.1° | 180.0° |
| C42 | N41 | CM4 | H442 | 180.0° | 89.9° |
| C42 | N41 | CM4 | H441 | 60.0° | 150.0° |
| C42 | N41 | CM4 | H443 | 60.0° | 30.0° |
| C44 | N41 | C42 | C41 | 175.7° | 179.9° |
| C44 | N41 | C42 | N42 | 3.6° | 0.0° |
| N41 | C44 | C43 | H44 | 180.0° | 180.0° |
| N41 | C44 | C43 | N42 | 1.5° | 0.0° |
| N41 | C44 | C43 | N43 | 178.0° | 179.9° |
| C44 | N41 | CM4 | H442 | 5.2° | 90.3° |
| C44 | N41 | CM4 | H441 | 125.2° | 29.7° |
| C44 | N41 | CM4 | H443 | 114.9° | 149.8° |
| C42 | C41 | N32 | C34 | 179.1° | 180.0° |
| C41 | C42 | N42 | C43 | 176.5° | 179.9° |
| C42 | C41 | N32 | HN3 | 1.0° | 0.1° |
| C41 | N32 | C34 | HN3 | 180.0° | 179.9° |
| C41 | N32 | C34 | C33 | 173.7° | 0.0° |
| N32 | C41 | C42 | N42 | 7.1° | 0.1° |
| N52 | C54 | C53 | C52 | 179.2° | 180.0° |
| N52 | C54 | C53 | H53 | 0.8° | 0.0° |
| N52 | C54 | C55 | H55 | 0.4° | 0.0° |
| C54 | C53 | C52 | H53 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 175.5° | 180.0° |
| C53 | C54 | N52 | HN5 | 12.0° | 180.0° |
| C53 | C54 | C55 | H55 | 179.8° | 180.0° |
| N32 | C34 | C33 | C32 | 179.2° | 180.0° |
| N32 | C34 | C35 | H35 | 2.7° | 0.1° |
| N32 | C34 | C33 | H33 | 0.7° | 0.1° |
| C34 | C33 | C32 | C31 | 176.1° | 179.9° |
| C34 | C33 | C32 | H33 | 180.0° | 179.9° |
| C33 | C34 | N32 | HN3 | 6.3° | 179.9° |
| C33 | C34 | C35 | H35 | 177.5° | 180.0° |
| O71 | C71 | N62 | C64 | 0.6° | 5.3° |
| O71 | C71 | N62 | C72 | 179.3° | 180.0° |
| O71 | C71 | C72 | N71 | 7.6° | 5.0° |
| O71 | C71 | C72 | C73 | 169.4° | 175.0° |
| O71 | C71 | N62 | HN6 | 179.4° | 174.7° |
| C32 | C31 | N22 | C24 | 171.7° | 174.7° |
| C32 | C31 | N22 | HN2 | 8.3° | 5.3° |
| C31 | C32 | C33 | H33 | 3.9° | 0.0° |
| C33 | C32 | C31 | N22 | 5.8° | 4.9° |
| C53 | C52 | C51 | O51 | 179.6° | 174.8° |
| C53 | C52 | C51 | N91 | 2.3° | 5.2° |
| C52 | C51 | O51 | N91 | 178.0° | 179.9° |
| C52 | C51 | N91 | C94 | 171.6° | 175.0° |
| C52 | C51 | N91 | HN9 | 8.4° | 5.0° |
| C51 | C52 | C53 | H53 | 4.5° | 0.0° |
| C31 | N22 | C24 | C25 | 19.9° | 180.0° |
| C31 | N22 | C24 | HN2 | 180.0° | 179.9° |
| C31 | N22 | C24 | C23 | 158.9° | 0.1° |
| C42 | N42 | C43 | C44 | 0.7° | 0.0° |
| C42 | N42 | C43 | N43 | 179.8° | 180.0° |
| O51 | C51 | N91 | C94 | 6.6° | 5.1° |
| O51 | C51 | N91 | HN9 | 173.4° | 175.0° |
| C63 | C64 | N62 | C71 | 172.9° | 0.1° |
| C63 | C64 | N62 | HN6 | 7.1° | 179.9° |
| C63 | C64 | C65 | H65 | 177.0° | 180.0° |
| C64 | N62 | C71 | HN6 | 180.0° | 179.9° |
| C64 | N62 | C71 | C72 | 178.6° | 174.7° |
| N62 | C64 | C63 | H63 | 3.5° | 0.1° |
| N62 | C64 | C65 | H65 | 4.0° | 0.1° |
| C44 | C43 | N42 | N43 | 179.5° | 180.0° |
| C44 | C43 | N43 | C91 | 7.6° | 0.1° |
| C44 | C43 | N43 | HN4 | 172.4° | 179.9° |
| C51 | N91 | C94 | HN9 | 180.0° | 180.0° |
| C51 | N91 | C94 | C93 | 123.7° | 180.0° |
| C51 | N91 | C94 | H943 | 116.0° | 60.0° |
| C51 | N91 | C94 | H942 | 3.4° | 60.0° |
| CM7 | N71 | C72 | C71 | 9.3° | 0.3° |
| CM7 | N71 | C72 | C75 | 175.8° | 179.7° |
| CM7 | N71 | C72 | C73 | 173.1° | 179.7° |
| CM7 | N71 | C75 | C74 | 174.0° | 179.7° |
| CM7 | N71 | C75 | H75 | 6.0° | 0.3° |
| N71 | CM7 | H773 | H772 | 120.0° | 120.0° |
| N71 | CM7 | H773 | H771 | 120.0° | 120.0° |
| N71 | CM7 | H772 | H771 | 120.0° | 120.0° |
| N62 | C71 | C72 | N71 | 173.2° | 175.0° |
| N62 | C71 | C72 | C73 | 9.9° | 4.9° |
| C71 | C72 | N71 | C73 | 177.6° | 180.0° |
| C71 | C72 | N71 | C75 | 174.9° | 180.0° |
| C71 | C72 | C73 | C74 | 175.1° | 180.0° |
| C72 | C71 | N62 | HN6 | 1.3° | 5.2° |
| C71 | C72 | C73 | H73 | 4.9° | 0.0° |
| N21 | C25 | C24 | H25 | 180.0° | 179.9° |
| C25 | N21 | CM2 | C22 | 179.2° | 179.6° |
| N21 | C25 | C24 | N22 | 177.0° | 180.0° |
| N21 | C25 | C24 | C23 | 1.9° | 0.1° |
| C25 | N21 | C22 | C23 | 1.3° | 0.0° |
| C25 | N21 | C22 | C21 | 179.1° | 180.0° |
| C25 | N21 | CM2 | H223 | 180.0° | 85.7° |
| C25 | N21 | CM2 | H222 | 60.0° | 34.4° |
| C25 | N21 | CM2 | H221 | 60.0° | 154.4° |
| C24 | C25 | N21 | CM2 | 178.9° | 179.7° |
| C25 | C24 | N22 | C23 | 178.7° | 179.9° |
| C24 | C25 | N21 | C22 | 0.4° | 0.1° |
| C25 | C24 | C23 | C22 | 2.7° | 0.1° |
| C25 | C24 | N22 | HN2 | 160.2° | 0.1° |
| C25 | C24 | C23 | H23 | 177.3° | 180.0° |
| CM2 | N21 | C22 | C23 | 179.5° | 179.7° |
| CM2 | N21 | C22 | C21 | 0.2° | 0.3° |
| CM2 | N21 | C25 | H25 | 1.1° | 0.4° |
| N21 | CM2 | H223 | H222 | 120.0° | 120.0° |
| N21 | CM2 | H223 | H221 | 120.0° | 119.9° |
| N21 | CM2 | H222 | H221 | 120.0° | 120.0° |
| N42 | C43 | N43 | C91 | 173.0° | 180.0° |
| N42 | C43 | N43 | HN4 | 7.0° | 0.1° |
| N42 | C43 | C44 | H44 | 178.5° | 180.0° |
| C43 | N43 | C91 | O91 | 3.0° | 0.1° |
| C43 | N43 | C91 | HN4 | 180.0° | 179.9° |
| C43 | N43 | C91 | C92 | 176.6° | 180.0° |
| N43 | C43 | C44 | H44 | 2.0° | 0.0° |
| N22 | C24 | C23 | C22 | 176.2° | 180.0° |
| N22 | C24 | C25 | H25 | 3.0° | 0.1° |
| N22 | C24 | C23 | H23 | 3.8° | 0.1° |
| N21 | C22 | C23 | C24 | 2.4° | 0.0° |
| N21 | C22 | C23 | C21 | 179.6° | 180.0° |
| N21 | C22 | C21 | O21 | 1.4° | 4.9° |
| N21 | C22 | C21 | N12 | 177.9° | 175.0° |
| C22 | N21 | C25 | H25 | 179.6° | 180.0° |
| C22 | N21 | CM2 | H223 | 0.8° | 94.7° |
| C22 | N21 | CM2 | H222 | 119.2° | 145.2° |
| C22 | N21 | CM2 | H221 | 120.9° | 25.2° |
| N21 | C22 | C23 | H23 | 177.6° | 180.0° |
| O91 | C91 | N43 | C92 | 179.5° | 180.0° |
| O91 | C91 | C92 | C93 | 107.7° | 100.0° |
| O91 | C91 | C92 | N1 | 22.4° | 20.0° |
| O91 | C91 | N43 | HN4 | 177.0° | 179.9° |
| O91 | C91 | C92 | H922 | 137.0° | 140.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 178.0° | 180.0° |
| C23 | C24 | N22 | HN2 | 21.1° | 180.0° |
| C23 | C24 | C25 | H25 | 178.1° | 180.0° |
| C72 | N71 | C75 | C74 | 2.2° | 0.1° |
| N71 | C72 | C73 | C74 | 2.1° | 0.0° |
| C72 | N71 | C75 | H75 | 177.8° | 180.0° |
| C72 | N71 | CM7 | H773 | 180.0° | 84.8° |
| C72 | N71 | CM7 | H772 | 60.0° | 155.2° |
| C72 | N71 | CM7 | H771 | 60.0° | 35.2° |
| N71 | C72 | C73 | H73 | 177.9° | 180.0° |
| C75 | N71 | C72 | C73 | 2.7° | 0.1° |
| N71 | C75 | C74 | H75 | 180.0° | 180.0° |
| N71 | C75 | C74 | C73 | 0.8° | 0.1° |
| N71 | C75 | C74 | N72 | 180.0° | 180.0° |
| C75 | N71 | CM7 | H773 | 4.7° | 95.5° |
| C75 | N71 | CM7 | H772 | 124.7° | 24.4° |
| C75 | N71 | CM7 | H771 | 115.3° | 144.4° |
| N91 | C94 | C93 | H943 | 120.3° | 120.0° |
| N91 | C94 | C93 | H942 | 120.3° | 120.0° |
| N91 | C94 | C93 | C92 | 83.2° | 180.0° |
| N91 | C94 | C93 | H931 | 37.7° | 60.0° |
| N91 | C94 | C93 | H932 | 155.8° | 60.0° |
| N91 | C94 | H943 | H942 | 119.1° | 120.0° |
| C72 | C73 | C74 | C75 | 0.8° | 0.0° |
| C72 | C73 | C74 | H73 | 180.0° | 180.0° |
| C72 | C73 | C74 | N72 | 178.3° | 180.0° |
| N43 | C91 | C92 | C93 | 71.8° | 80.0° |
| N43 | C91 | C92 | N1 | 158.1° | 160.0° |
| N43 | C91 | C92 | H922 | 43.4° | 40.0° |
| C91 | C92 | C93 | C94 | 42.6° | 175.0° |
| C91 | C92 | C93 | N1 | 129.7° | 120.0° |
| C91 | C92 | C93 | H922 | 115.3° | 119.9° |
| C91 | C92 | N1 | H922 | 114.6° | 120.0° |
| C92 | C91 | N43 | HN4 | 3.4° | 0.1° |
| C91 | C92 | C93 | H931 | 78.3° | 55.0° |
| C91 | C92 | C93 | H932 | 163.6° | 65.0° |
| C91 | C92 | N1 | H3 | 180.0° | 60.0° |
| C91 | C92 | N1 | H1 | 60.0° | 180.0° |
| C91 | C92 | N1 | H2 | 60.0° | 60.0° |
| C94 | C93 | C92 | H931 | 120.9° | 120.0° |
| C94 | C93 | C92 | H932 | 121.0° | 120.1° |
| C94 | C93 | C92 | N1 | 87.1° | 65.0° |
| C93 | C94 | N91 | HN9 | 56.3° | 0.0° |
| C94 | C93 | C92 | H922 | 157.9° | 55.0° |
| C94 | C93 | H931 | H932 | 117.0° | 120.0° |
| C93 | C94 | H943 | H942 | 119.1° | 120.0° |
| C23 | C22 | C21 | O21 | 178.2° | 175.0° |
| C23 | C22 | C21 | N12 | 2.6° | 5.0° |
| C22 | C21 | O21 | N12 | 179.2° | 179.9° |
| C22 | C21 | N12 | C14 | 176.1° | 174.7° |
| C22 | C21 | N12 | HN1 | 3.8° | 5.3° |
| C21 | C22 | C23 | H23 | 2.0° | 0.1° |
| C75 | C74 | C73 | N72 | 179.1° | 179.9° |
| C75 | C74 | N72 | C81 | 0.1° | 180.0° |
| C75 | C74 | N72 | HN7 | 179.9° | 0.1° |
| C75 | C74 | C73 | H73 | 179.2° | 180.0° |
| C73 | C74 | N72 | C81 | 179.1° | 0.1° |
| C73 | C74 | N72 | HN7 | 1.0° | 180.0° |
| C73 | C74 | C75 | H75 | 179.1° | 180.0° |
| O21 | C21 | N12 | C14 | 4.6° | 5.2° |
| O21 | C21 | N12 | HN1 | 175.4° | 174.8° |
| C93 | C92 | N1 | H922 | 115.0° | 120.0° |
| C92 | C93 | H931 | H932 | 117.0° | 120.0° |
| C92 | C93 | C94 | H943 | 156.5° | 60.0° |
| C92 | C93 | C94 | H942 | 37.1° | 60.0° |
| C93 | C92 | N1 | H3 | 49.6° | 60.0° |
| C93 | C92 | N1 | H1 | 70.4° | 60.0° |
| C93 | C92 | N1 | H2 | 169.6° | 180.0° |
| N1 | C92 | C93 | H931 | 152.0° | 175.0° |
| N1 | C92 | C93 | H932 | 33.9° | 55.0° |
| C92 | N1 | H3 | H1 | 120.0° | 119.9° |
| C92 | N1 | H3 | H2 | 120.0° | 120.0° |
| C92 | N1 | H1 | H2 | 120.0° | 120.0° |
| C21 | N12 | C14 | HN1 | 180.0° | 180.0° |
| C21 | N12 | C14 | C15 | 2.6° | 180.0° |
| C21 | N12 | C14 | C13 | 179.3° | 0.4° |
| C74 | N72 | C81 | HN7 | 180.0° | 179.9° |
| C74 | N72 | C81 | O81 | 2.3° | 0.1° |
| C74 | N72 | C81 | C82 | 178.8° | 180.0° |
| N72 | C74 | C75 | H75 | 0.0° | 0.0° |
| N72 | C74 | C73 | H73 | 1.7° | 0.1° |
| N12 | C14 | C15 | C13 | 178.4° | 179.7° |
| N12 | C14 | C15 | N11 | 178.2° | 179.7° |
| N12 | C14 | C13 | C12 | 174.3° | 179.7° |
| N12 | C14 | C13 | H13 | 5.7° | 0.3° |
| N12 | C14 | C15 | H15 | 1.8° | 0.3° |
| N72 | C81 | O81 | C82 | 178.7° | 179.9° |
| N72 | C81 | C82 | N82 | 0.3° | 0.0° |
| N72 | C81 | C82 | N81 | 178.5° | 180.0° |
| O81 | C81 | C82 | N82 | 178.5° | 179.9° |
| O81 | C81 | C82 | N81 | 0.3° | 0.0° |
| O81 | C81 | N72 | HN7 | 177.6° | 180.0° |
| C81 | C82 | N82 | N81 | 178.4° | 179.9° |
| C81 | C82 | N81 | C88 | 6.0° | 0.0° |
| C81 | C82 | N82 | C84 | 176.5° | 179.8° |
| C81 | C82 | N81 | C83 | 176.1° | 180.0° |
| C82 | C81 | N72 | HN7 | 1.2° | 0.1° |
| C14 | C15 | N11 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 4.1° | 0.0° |
| C14 | C15 | N11 | CM1 | 172.5° | 180.0° |
| C14 | C15 | N11 | C12 | 3.8° | 0.0° |
| C15 | C14 | C13 | H13 | 175.9° | 179.9° |
| C15 | C14 | N12 | HN1 | 177.4° | 0.1° |
| C13 | C14 | C15 | N11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 6.3° | 0.0° |
| C14 | C13 | C12 | C11 | 168.5° | 180.0° |
| C13 | C14 | N12 | HN1 | 0.7° | 179.7° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C15 | N11 | C12 | C13 | 6.3° | 0.0° |
| C15 | N11 | CM1 | C12 | 175.5° | 180.0° |
| C15 | N11 | C12 | C11 | 169.0° | 180.0° |
| C15 | N11 | CM1 | H113 | 180.0° | 85.3° |
| C15 | N11 | CM1 | H112 | 60.0° | 34.7° |
| C15 | N11 | CM1 | H111 | 60.0° | 154.7° |
| N82 | C82 | N81 | C88 | 175.5° | 179.9° |
| N82 | C82 | N81 | C83 | 2.3° | 0.0° |
| C82 | N82 | C84 | C83 | 0.7° | 0.5° |
| C82 | N82 | C84 | H83 | 179.3° | 180.0° |
| C82 | N81 | C88 | C83 | 177.5° | 180.0° |
| N81 | C82 | N82 | C84 | 1.9° | 0.3° |
| C82 | N81 | C83 | C84 | 1.8° | 0.2° |
| C82 | N81 | C83 | H84 | 178.2° | 180.0° |
| C82 | N81 | C88 | H881 | 180.0° | 90.0° |
| C82 | N81 | C88 | H883 | 60.0° | 29.9° |
| C82 | N81 | C88 | H882 | 60.0° | 150.0° |
| C13 | C12 | N11 | CM1 | 169.7° | 180.0° |
| C13 | C12 | N11 | C11 | 175.3° | 180.0° |
| C13 | C12 | C11 | N03 | 10.5° | 5.0° |
| C13 | C12 | C11 | O11 | 167.9° | 175.0° |
| CM1 | N11 | C12 | C11 | 15.0° | 0.0° |
| CM1 | N11 | C15 | H15 | 7.5° | 0.0° |
| N11 | CM1 | H113 | H112 | 120.0° | 120.0° |
| N11 | CM1 | H113 | H111 | 120.0° | 120.0° |
| N11 | CM1 | H112 | H111 | 120.0° | 120.0° |
| N11 | C12 | C11 | N03 | 175.2° | 175.0° |
| N11 | C12 | C11 | O11 | 6.3° | 5.0° |
| N11 | C12 | C13 | H13 | 173.6° | 180.0° |
| C12 | N11 | C15 | H15 | 176.2° | 180.0° |
| C12 | N11 | CM1 | H113 | 4.5° | 94.7° |
| C12 | N11 | CM1 | H112 | 115.5° | 145.3° |
| C12 | N11 | CM1 | H111 | 124.5° | 25.3° |
| C88 | N81 | C83 | C84 | 176.2° | 179.8° |
| C88 | N81 | C83 | H84 | 3.8° | 0.0° |
| N81 | C88 | H881 | H883 | 120.0° | 119.9° |
| N81 | C88 | H881 | H882 | 120.0° | 120.0° |
| N81 | C88 | H883 | H882 | 120.0° | 120.0° |
| N82 | C84 | C83 | N81 | 0.7° | 0.4° |
| N82 | C84 | C83 | H83 | 180.0° | 179.5° |
| N82 | C84 | C83 | H84 | 179.3° | 179.8° |
| N81 | C83 | C84 | H84 | 180.0° | 179.8° |
| C83 | N81 | C88 | H881 | 2.5° | 90.0° |
| C83 | N81 | C88 | H883 | 117.5° | 150.0° |
| C83 | N81 | C88 | H882 | 122.5° | 30.0° |
| N81 | C83 | C84 | H83 | 179.3° | 180.0° |
| C12 | C11 | N03 | O11 | 178.5° | 180.0° |
| C12 | C11 | N03 | C08 | 179.2° | 174.9° |
| C12 | C11 | N03 | HN03 | 0.8° | 5.0° |
| C11 | C12 | C13 | H13 | 11.5° | 0.0° |
| C11 | N03 | C08 | HN03 | 180.0° | 180.0° |
| C11 | N03 | C08 | C07 | 103.7° | 180.0° |
| C11 | N03 | C08 | H082 | 136.0° | 60.0° |
| C11 | N03 | C08 | H081 | 16.7° | 60.0° |
| O11 | C11 | N03 | C08 | 0.7° | 5.1° |
| O11 | C11 | N03 | HN03 | 179.3° | 175.0° |
| N03 | C08 | C07 | H082 | 120.4° | 120.0° |
| N03 | C08 | C07 | H081 | 120.4° | 120.0° |
| N03 | C08 | C07 | C06 | 155.4° | 180.0° |
| N03 | C08 | H082 | H081 | 118.8° | 120.0° |
| N03 | C08 | C07 | H071 | 35.1° | 60.0° |
| N03 | C08 | C07 | H072 | 84.2° | 60.0° |
| C08 | C07 | C06 | H071 | 120.4° | 120.0° |
| C08 | C07 | C06 | H072 | 120.4° | 120.0° |
| C08 | C07 | C06 | O01 | 78.6° | 0.0° |
| C08 | C07 | C06 | N02 | 105.7° | 180.0° |
| C07 | C08 | N03 | HN03 | 76.4° | 0.0° |
| C07 | C08 | H082 | H081 | 118.9° | 120.0° |
| C08 | C07 | H071 | H072 | 118.9° | 120.1° |
| C07 | C06 | O01 | N02 | 175.5° | 180.0° |
| C07 | C06 | N02 | C05 | 146.9° | 180.0° |
| C07 | C06 | N02 | HN02 | 33.0° | 0.0° |
| C06 | C07 | C08 | H082 | 84.2° | 60.0° |
| C06 | C07 | C08 | H081 | 35.0° | 60.0° |
| C06 | C07 | H071 | H072 | 118.8° | 119.9° |
| O01 | C06 | N02 | C05 | 28.8° | 0.0° |
| O01 | C06 | N02 | HN02 | 151.2° | 180.0° |
| O01 | C06 | C07 | H071 | 41.8° | 120.0° |
| O01 | C06 | C07 | H072 | 161.0° | 120.0° |
| C06 | N02 | C05 | HN02 | 180.0° | 180.0° |
| C06 | N02 | C05 | C04 | 108.6° | 180.0° |
| C06 | N02 | C05 | H051 | 12.0° | 60.0° |
| C06 | N02 | C05 | H052 | 130.7° | 60.0° |
| N02 | C06 | C07 | H071 | 134.0° | 60.0° |
| N02 | C06 | C07 | H072 | 14.7° | 60.0° |
| N02 | C05 | C04 | H051 | 120.7° | 120.0° |
| N02 | C05 | C04 | H052 | 120.7° | 120.0° |
| N02 | C05 | C04 | C03 | 68.6° | 180.0° |
| N02 | C05 | C04 | H041 | 170.9° | 60.0° |
| N02 | C05 | C04 | H042 | 51.9° | 60.0° |
| N02 | C05 | H051 | H052 | 118.0° | 120.0° |
| C05 | C04 | C03 | H041 | 120.5° | 119.9° |
| C05 | C04 | C03 | H042 | 120.5° | 120.0° |
| C05 | C04 | C03 | N01 | 171.1° | 180.0° |
| C05 | C04 | C03 | H032 | 68.3° | 60.0° |
| C05 | C04 | C03 | H031 | 50.6° | 60.0° |
| C05 | C04 | H041 | H042 | 118.4° | 120.0° |
| C04 | C05 | H051 | H052 | 118.0° | 120.1° |
| C04 | C05 | N02 | HN02 | 71.4° | 0.0° |
| C04 | C03 | N01 | H032 | 120.6° | 120.0° |
| C04 | C03 | N01 | H031 | 120.6° | 120.0° |
| C04 | C03 | N01 | C02 | 163.5° | 175.0° |
| C04 | C03 | N01 | C01 | 75.5° | 65.0° |
| C04 | C03 | H032 | H031 | 118.3° | 120.0° |
| C03 | C04 | H041 | H042 | 118.4° | 120.0° |
| C03 | C04 | C05 | H051 | 52.1° | 60.0° |
| C03 | C04 | C05 | H052 | 170.7° | 60.0° |
| C04 | C03 | N01 | HN01 | 44.4° | 55.0° |
| C03 | N01 | C02 | C01 | 122.4° | 120.0° |
| C03 | N01 | C02 | HN01 | 119.1° | 120.0° |
| C03 | N01 | C01 | HN01 | 119.8° | 120.0° |
| N01 | C03 | H032 | H031 | 118.2° | 120.0° |
| N01 | C03 | C04 | H041 | 50.6° | 60.0° |
| N01 | C03 | C04 | H042 | 68.4° | 60.0° |
| C03 | N01 | C01 | H006 | 180.0° | 60.0° |
| C03 | N01 | C01 | H004 | 60.0° | 180.0° |
| C03 | N01 | C01 | H005 | 60.0° | 60.0° |
| C03 | N01 | C02 | H002 | 180.0° | 60.0° |
| C03 | N01 | C02 | H003 | 60.0° | 180.0° |
| C03 | N01 | C02 | H001 | 60.0° | 60.0° |
| C02 | N01 | C01 | HN01 | 118.5° | 120.0° |
| C02 | N01 | C03 | H032 | 42.9° | 65.0° |
| C02 | N01 | C03 | H031 | 75.9° | 55.0° |
| C02 | N01 | C01 | H006 | 58.3° | 60.0° |
| C02 | N01 | C01 | H004 | 61.7° | 60.0° |
| C02 | N01 | C01 | H005 | 178.4° | 180.0° |
| N01 | C02 | H002 | H003 | 120.0° | 120.1° |
| N01 | C02 | H002 | H001 | 120.0° | 120.0° |
| N01 | C02 | H003 | H001 | 120.0° | 120.0° |
| C01 | N01 | C03 | H032 | 164.0° | 55.0° |
| C01 | N01 | C03 | H031 | 45.1° | 175.0° |
| N01 | C01 | H006 | H004 | 120.0° | 120.0° |
| N01 | C01 | H006 | H005 | 120.0° | 120.1° |
| N01 | C01 | H004 | H005 | 120.0° | 120.0° |
| C01 | N01 | C02 | H002 | 57.7° | 179.9° |
| C01 | N01 | C02 | H003 | 177.7° | 60.0° |
| C01 | N01 | C02 | H001 | 62.4° | 60.0° |
| H032 | C03 | C04 | H041 | 171.2° | 59.9° |
| H032 | C03 | C04 | H042 | 52.2° | 180.0° |
| H032 | C03 | N01 | HN01 | 76.2° | 175.0° |
| H031 | C03 | C04 | H041 | 69.9° | 179.9° |
| H031 | C03 | C04 | H042 | 171.1° | 60.0° |
| H031 | C03 | N01 | HN01 | 165.0° | 65.0° |
| H041 | C04 | C05 | H051 | 68.4° | 180.0° |
| H041 | C04 | C05 | H052 | 50.2° | 60.0° |
| H042 | C04 | C05 | H051 | 172.6° | 60.0° |
| H042 | C04 | C05 | H052 | 68.8° | 180.0° |
| H051 | C05 | N02 | HN02 | 168.0° | 120.0° |
| H052 | C05 | N02 | HN02 | 49.3° | 120.0° |
| H006 | C01 | H004 | H005 | 120.0° | 120.0° |
| H006 | C01 | N01 | HN01 | 60.2° | 180.0° |
| H004 | C01 | N01 | HN01 | 179.8° | 60.0° |
| H005 | C01 | N01 | HN01 | 59.8° | 60.0° |
| H002 | C02 | H003 | H001 | 120.0° | 120.0° |
| H002 | C02 | N01 | HN01 | 60.8° | 60.0° |
| H003 | C02 | N01 | HN01 | 59.1° | 60.0° |
| H001 | C02 | N01 | HN01 | 179.1° | 180.0° |
| HN03 | N03 | C08 | H082 | 44.0° | 120.0° |
| HN03 | N03 | C08 | H081 | 163.2° | 120.0° |
| H113 | CM1 | H112 | H111 | 120.0° | 120.0° |
| H223 | CM2 | H222 | H221 | 120.0° | 120.0° |
| HN9 | N91 | C94 | H943 | 64.0° | 120.0° |
| HN9 | N91 | C94 | H942 | 176.6° | 120.0° |
| H331 | CM3 | H333 | H332 | 120.0° | 119.9° |
| H442 | CM4 | H441 | H443 | 120.0° | 120.0° |
| H082 | C08 | C07 | H071 | 155.4° | 179.9° |
| H082 | C08 | C07 | H072 | 36.2° | 60.0° |
| H081 | C08 | C07 | H071 | 85.3° | 60.0° |
| H081 | C08 | C07 | H072 | 155.4° | 180.0° |
| H551 | CM5 | H552 | H553 | 120.0° | 120.0° |
| H662 | CM6 | H663 | H661 | 120.0° | 120.0° |
| H773 | CM7 | H772 | H771 | 120.0° | 120.1° |
| H922 | C92 | C93 | H931 | 36.9° | 64.9° |
| H922 | C92 | C93 | H932 | 81.1° | 175.1° |
| H922 | C92 | N1 | H3 | 65.4° | 180.0° |
| H922 | C92 | N1 | H1 | 174.6° | 60.0° |
| H922 | C92 | N1 | H2 | 54.6° | 60.0° |
| H931 | C93 | C94 | H943 | 82.6° | 60.0° |
| H931 | C93 | C94 | H942 | 158.0° | 180.0° |
| H932 | C93 | C94 | H943 | 35.5° | 179.9° |
| H932 | C93 | C94 | H942 | 83.9° | 60.0° |
| H3 | N1 | H1 | H2 | 120.0° | 120.1° |
| H84 | C83 | C84 | H83 | 0.7° | 0.3° |
| H881 | C88 | H883 | H882 | 120.0° | 120.0° |
