FGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O91 | C91 | doub | 1.21Å | 1.22Å | |
| CM4 | N41 | sing | 1.46Å | 1.47Å | |
| C44 | N41 | sing | 1.36Å | 1.38Å | Aromatic |
| C44 | C43 | doub | 1.36Å | 1.37Å | Aromatic |
| O51 | C51 | doub | 1.22Å | 1.22Å | |
| C91 | C92 | sing | 1.51Å | 1.54Å | |
| C91 | N43 | sing | 1.35Å | 1.37Å | |
| C93 | C92 | sing | 1.53Å | 1.55Å | |
| C93 | C94 | sing | 1.53Å | 1.55Å | |
| N41 | C42 | sing | 1.37Å | 1.39Å | Aromatic |
| CM5 | N51 | sing | 1.47Å | 1.47Å | |
| N43 | C43 | sing | 1.40Å | 1.37Å | |
| C43 | N42 | sing | 1.33Å | 1.37Å | Aromatic |
| C94 | N91 | sing | 1.47Å | 1.47Å | |
| C51 | N91 | sing | 1.35Å | 1.37Å | |
| C51 | C52 | sing | 1.47Å | 1.49Å | |
| N51 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| N51 | C55 | sing | 1.36Å | 1.39Å | Aromatic |
| C42 | N42 | doub | 1.32Å | 1.33Å | Aromatic |
| C42 | C41 | sing | 1.47Å | 1.51Å | |
| C52 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| O41 | C41 | doub | 1.22Å | 1.23Å | |
| C41 | N32 | sing | 1.35Å | 1.39Å | |
| C55 | C54 | doub | 1.36Å | 1.37Å | Aromatic |
| C53 | C54 | sing | 1.40Å | 1.41Å | Aromatic |
| C54 | N52 | sing | 1.41Å | 1.39Å | |
| N32 | C34 | sing | 1.41Å | 1.39Å | |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | N31 | sing | 1.36Å | 1.39Å | Aromatic |
| N52 | C61 | sing | 1.35Å | 1.39Å | |
| O61 | C61 | doub | 1.22Å | 1.22Å | |
| C61 | C62 | sing | 1.47Å | 1.49Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| N31 | CM3 | sing | 1.46Å | 1.47Å | |
| N31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.47Å | 1.49Å | |
| C62 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| C62 | N61 | sing | 1.38Å | 1.40Å | Aromatic |
| CM6 | N61 | sing | 1.46Å | 1.47Å | |
| C63 | C64 | sing | 1.40Å | 1.42Å | Aromatic |
| N61 | C65 | sing | 1.36Å | 1.39Å | Aromatic |
| C31 | N22 | sing | 1.35Å | 1.39Å | |
| C31 | O31 | doub | 1.22Å | 1.22Å | |
| N22 | C24 | sing | 1.41Å | 1.40Å | |
| C64 | C65 | doub | 1.36Å | 1.37Å | Aromatic |
| C64 | N62 | sing | 1.41Å | 1.39Å | |
| N62 | C71 | sing | 1.35Å | 1.39Å | |
| C24 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N02 | C05 | sing | 1.46Å | 1.47Å | |
| N02 | C06 | sing | 1.35Å | 1.37Å | |
| C02 | N01 | sing | 1.47Å | 1.53Å | |
| C25 | N21 | sing | 1.36Å | 1.39Å | Aromatic |
| C71 | O71 | doub | 1.22Å | 1.22Å | |
| C71 | C72 | sing | 1.47Å | 1.49Å | |
| N01 | C03 | sing | 1.47Å | 1.53Å | |
| N01 | C01 | sing | 1.47Å | 1.53Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | O01 | doub | 1.21Å | 1.22Å | |
| C73 | C72 | doub | 1.38Å | 1.38Å | Aromatic |
| C73 | C74 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | N03 | sing | 1.47Å | 1.47Å | |
| C22 | N21 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.47Å | 1.49Å | |
| C72 | N71 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | C11 | sing | 1.35Å | 1.37Å | |
| N21 | CM2 | sing | 1.46Å | 1.47Å | |
| N12 | C21 | sing | 1.35Å | 1.38Å | |
| N12 | C14 | sing | 1.41Å | 1.39Å | |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | O21 | doub | 1.22Å | 1.22Å | |
| C74 | N72 | sing | 1.41Å | 1.39Å | |
| C74 | C75 | doub | 1.36Å | 1.37Å | Aromatic |
| N82 | C84 | sing | 1.33Å | 1.37Å | Aromatic |
| N82 | C82 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| N72 | C81 | sing | 1.35Å | 1.39Å | |
| C84 | C83 | doub | 1.36Å | 1.37Å | Aromatic |
| N71 | C75 | sing | 1.36Å | 1.39Å | Aromatic |
| N71 | CM7 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | O11 | doub | 1.22Å | 1.22Å | |
| C12 | N11 | sing | 1.38Å | 1.40Å | Aromatic |
| C82 | C81 | sing | 1.47Å | 1.51Å | |
| C82 | N81 | sing | 1.37Å | 1.40Å | Aromatic |
| C81 | O81 | doub | 1.22Å | 1.23Å | |
| C15 | N11 | sing | 1.36Å | 1.39Å | Aromatic |
| C83 | N81 | sing | 1.36Å | 1.38Å | Aromatic |
| N11 | CM1 | sing | 1.47Å | 1.47Å | |
| N81 | C88 | sing | 1.46Å | 1.48Å | |
| C88 | C8 | sing | 1.53Å | 1.54Å | |
| C88 | C9 | sing | 1.53Å | 1.55Å | |
| 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 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C01 | H005 | sing | 1.09Å | 1.10Å | |
| C01 | H006 | sing | 1.09Å | 1.10Å | |
| C01 | H004 | 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 | H111 | sing | 1.09Å | 1.10Å | |
| CM1 | H113 | sing | 1.09Å | 1.10Å | |
| CM1 | H112 | 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 | H222 | sing | 1.09Å | 1.10Å | |
| CM2 | H221 | sing | 1.09Å | 1.10Å | |
| CM2 | H223 | 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 | H333 | sing | 1.09Å | 1.10Å | |
| CM3 | H332 | sing | 1.09Å | 1.10Å | |
| CM3 | H331 | 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 | H441 | sing | 1.09Å | 1.10Å | |
| CM4 | H443 | sing | 1.09Å | 1.10Å | |
| CM4 | H442 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| CM5 | H552 | sing | 1.09Å | 1.10Å | |
| CM5 | H553 | sing | 1.09Å | 1.10Å | |
| CM5 | H551 | 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 | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C93 | H932 | sing | 1.09Å | 1.10Å | |
| C93 | H931 | sing | 1.09Å | 1.10Å | |
| C94 | H942 | sing | 1.09Å | 1.10Å | |
| C94 | H943 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C73 | H73 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C83 | H84 | sing | 1.08Å | 1.08Å | |
| C88 | H10 | sing | 1.09Å | 1.10Å | |
| C84 | H83 | sing | 1.08Å | 1.08Å | |
| C9 | H993 | sing | 1.09Å | 1.10Å | |
| C9 | H991 | sing | 1.09Å | 1.10Å | |
| C9 | H992 | sing | 1.09Å | 1.10Å | |
| C8 | H883 | sing | 1.09Å | 1.10Å | |
| C8 | H882 | sing | 1.09Å | 1.10Å | |
| C8 | H881 | sing | 1.09Å | 1.10Å | |
| N01 | HN01 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O91 | C91 | C92 | 122.6° | 120.0° |
| O91 | C91 | N43 | 123.3° | 120.0° |
| CM4 | N41 | C44 | 124.6° | 126.4° |
| CM4 | N41 | C42 | 129.4° | 126.5° |
| N41 | CM4 | H441 | 109.5° | 109.5° |
| N41 | CM4 | H443 | 109.5° | 109.5° |
| N41 | CM4 | H442 | 109.5° | 109.4° |
| N41 | C44 | C43 | 106.1° | 107.0° |
| C44 | N41 | C42 | 106.0° | 107.1° |
| N41 | C44 | H44 | 127.0° | 126.5° |
| C44 | C43 | N43 | 125.5° | 125.9° |
| C44 | C43 | N42 | 111.4° | 108.2° |
| C43 | C44 | H44 | 127.0° | 126.5° |
| O51 | C51 | N91 | 121.3° | 120.0° |
| O51 | C51 | C52 | 125.7° | 120.0° |
| C92 | C91 | N43 | 114.1° | 120.0° |
| C91 | C92 | C93 | 113.1° | 109.5° |
| C91 | C92 | H922 | 108.6° | 109.4° |
| C91 | C92 | H921 | 108.6° | 109.5° |
| C91 | N43 | C43 | 130.8° | 120.0° |
| C91 | N43 | HN4 | 114.6° | 120.0° |
| C92 | C93 | C94 | 116.3° | 109.5° |
| C93 | C92 | H922 | 108.6° | 109.4° |
| C93 | C92 | H921 | 108.6° | 109.5° |
| C92 | C93 | H932 | 107.7° | 109.4° |
| C92 | C93 | H931 | 107.7° | 109.5° |
| C93 | C94 | N91 | 115.9° | 109.5° |
| C94 | C93 | H932 | 107.7° | 109.4° |
| C94 | C93 | H931 | 107.7° | 109.5° |
| C93 | C94 | H942 | 107.8° | 109.5° |
| C93 | C94 | H943 | 107.8° | 109.4° |
| N41 | C42 | N42 | 111.3° | 108.5° |
| N41 | C42 | C41 | 121.0° | 125.8° |
| CM5 | N51 | C52 | 128.4° | 125.7° |
| CM5 | N51 | C55 | 122.9° | 125.6° |
| N51 | CM5 | H552 | 109.5° | 109.4° |
| N51 | CM5 | H553 | 109.5° | 109.4° |
| N51 | CM5 | H551 | 109.5° | 109.5° |
| N43 | C43 | N42 | 123.0° | 125.9° |
| C43 | N43 | HN4 | 114.6° | 120.0° |
| C43 | N42 | C42 | 105.1° | 109.2° |
| C94 | N91 | C51 | 124.8° | 120.0° |
| C94 | N91 | HN9 | 117.6° | 120.0° |
| N91 | C94 | H942 | 107.8° | 109.4° |
| N91 | C94 | H943 | 107.8° | 109.5° |
| N91 | C51 | C52 | 113.0° | 120.0° |
| C51 | N91 | HN9 | 117.6° | 120.0° |
| C51 | C52 | N51 | 123.4° | 126.2° |
| C51 | C52 | C53 | 129.2° | 126.1° |
| C52 | N51 | C55 | 108.7° | 108.7° |
| N51 | C52 | C53 | 107.4° | 107.7° |
| N51 | C55 | C54 | 107.6° | 108.8° |
| N51 | C55 | H55 | 126.2° | 125.6° |
| N42 | C42 | C41 | 127.6° | 125.8° |
| C42 | C41 | O41 | 123.9° | 120.0° |
| C42 | C41 | N32 | 114.6° | 120.0° |
| C52 | C53 | C54 | 108.0° | 107.1° |
| C52 | C53 | H53 | 126.0° | 126.5° |
| O41 | C41 | N32 | 121.5° | 120.0° |
| C41 | N32 | C34 | 127.5° | 120.0° |
| C41 | N32 | HN3 | 116.3° | 119.9° |
| C55 | C54 | C53 | 108.4° | 107.7° |
| C55 | C54 | N52 | 127.7° | 126.2° |
| C54 | C55 | H55 | 126.2° | 125.6° |
| C53 | C54 | N52 | 124.0° | 126.1° |
| C54 | C53 | H53 | 126.0° | 126.4° |
| C54 | N52 | C61 | 126.6° | 120.0° |
| C54 | N52 | HN5 | 116.7° | 120.0° |
| N32 | C34 | C35 | 126.4° | 126.1° |
| N32 | C34 | C33 | 125.0° | 126.2° |
| C34 | N32 | HN3 | 116.3° | 120.1° |
| C35 | C34 | C33 | 108.6° | 107.7° |
| C34 | C35 | N31 | 107.4° | 108.8° |
| C34 | C35 | H35 | 126.3° | 125.6° |
| C34 | C33 | C32 | 107.6° | 107.1° |
| C34 | C33 | H33 | 126.2° | 126.4° |
| C35 | N31 | CM3 | 122.4° | 125.7° |
| C35 | N31 | C32 | 109.0° | 108.7° |
| N31 | C35 | H35 | 126.3° | 125.7° |
| N52 | C61 | O61 | 121.5° | 120.0° |
| N52 | C61 | C62 | 115.4° | 120.0° |
| C61 | N52 | HN5 | 116.7° | 120.0° |
| O61 | C61 | C62 | 123.0° | 119.9° |
| C61 | C62 | C63 | 130.8° | 126.2° |
| C61 | C62 | N61 | 121.8° | 126.2° |
| C33 | C32 | N31 | 107.3° | 107.7° |
| C33 | C32 | C31 | 131.0° | 126.2° |
| C32 | C33 | H33 | 126.2° | 126.5° |
| CM3 | N31 | C32 | 128.6° | 125.6° |
| N31 | CM3 | H333 | 109.5° | 109.5° |
| N31 | CM3 | H332 | 109.5° | 109.5° |
| N31 | CM3 | H331 | 109.4° | 109.5° |
| N31 | C32 | C31 | 121.7° | 126.1° |
| C32 | C31 | N22 | 116.3° | 120.0° |
| C32 | C31 | O31 | 122.2° | 120.1° |
| C63 | C62 | N61 | 107.4° | 107.7° |
| C62 | C63 | C64 | 107.6° | 107.1° |
| C62 | C63 | H63 | 126.2° | 126.4° |
| C62 | N61 | CM6 | 128.5° | 125.6° |
| C62 | N61 | C65 | 108.9° | 108.7° |
| CM6 | N61 | C65 | 122.6° | 125.7° |
| N61 | CM6 | H662 | 109.5° | 109.5° |
| N61 | CM6 | H663 | 109.5° | 109.5° |
| N61 | CM6 | H661 | 109.5° | 109.5° |
| C63 | C64 | C65 | 108.5° | 107.7° |
| C63 | C64 | N62 | 125.2° | 126.1° |
| C64 | C63 | H63 | 126.2° | 126.4° |
| N61 | C65 | C64 | 107.5° | 108.8° |
| N61 | C65 | H65 | 126.2° | 125.6° |
| N22 | C31 | O31 | 121.5° | 120.0° |
| C31 | N22 | C24 | 126.1° | 120.0° |
| C31 | N22 | HN2 | 116.9° | 120.0° |
| N22 | C24 | C23 | 125.5° | 126.1° |
| N22 | C24 | C25 | 126.4° | 126.1° |
| C24 | N22 | HN2 | 117.0° | 120.0° |
| C65 | C64 | N62 | 126.3° | 126.1° |
| C64 | C65 | H65 | 126.2° | 125.6° |
| C64 | N62 | C71 | 126.1° | 120.0° |
| C64 | N62 | HN6 | 117.0° | 120.0° |
| N62 | C71 | O71 | 121.6° | 120.0° |
| N62 | C71 | C72 | 116.0° | 120.0° |
| C71 | N62 | HN6 | 117.0° | 120.0° |
| C23 | C24 | C25 | 108.1° | 107.8° |
| C24 | C23 | C22 | 108.0° | 107.1° |
| C24 | C23 | H23 | 126.0° | 126.4° |
| C24 | C25 | N21 | 107.7° | 108.8° |
| C24 | C25 | H25 | 126.1° | 125.7° |
| C05 | C04 | C03 | 112.9° | 109.5° |
| C04 | C05 | N02 | 113.0° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.5° |
| C05 | C04 | H042 | 108.6° | 109.5° |
| C04 | C05 | H052 | 108.6° | 109.5° |
| C04 | C05 | H051 | 108.6° | 109.4° |
| C04 | C03 | N01 | 115.2° | 109.5° |
| C04 | C03 | H032 | 108.0° | 109.5° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C03 | C04 | H041 | 108.6° | 109.5° |
| C03 | C04 | H042 | 108.6° | 109.4° |
| C23 | C22 | N21 | 107.2° | 107.7° |
| C23 | C22 | C21 | 131.0° | 126.1° |
| C22 | C23 | H23 | 126.0° | 126.5° |
| C05 | N02 | C06 | 122.9° | 120.0° |
| N02 | C05 | H052 | 108.6° | 109.5° |
| N02 | C05 | H051 | 108.6° | 109.4° |
| C05 | N02 | HN02 | 118.6° | 120.0° |
| N02 | C06 | C07 | 115.7° | 120.1° |
| N02 | C06 | O01 | 121.9° | 120.0° |
| C06 | N02 | HN02 | 118.5° | 120.0° |
| C02 | N01 | C03 | 111.6° | 109.5° |
| C02 | N01 | C01 | 108.9° | 109.4° |
| N01 | C02 | H002 | 109.5° | 109.5° |
| N01 | C02 | H003 | 109.5° | 109.5° |
| N01 | C02 | H001 | 109.4° | 109.5° |
| C02 | N01 | HN01 | 109.1° | 109.4° |
| C25 | N21 | C22 | 109.0° | 108.7° |
| C25 | N21 | CM2 | 123.0° | 125.7° |
| N21 | C25 | H25 | 126.2° | 125.5° |
| O71 | C71 | C72 | 122.4° | 120.0° |
| C71 | C72 | C73 | 130.9° | 126.2° |
| C71 | C72 | N71 | 121.6° | 126.2° |
| C03 | N01 | C01 | 109.0° | 109.5° |
| N01 | C03 | H032 | 108.0° | 109.5° |
| N01 | C03 | H031 | 108.0° | 109.5° |
| C03 | N01 | HN01 | 109.1° | 109.5° |
| N01 | C01 | H005 | 109.5° | 109.5° |
| N01 | C01 | H006 | 109.5° | 109.5° |
| N01 | C01 | H004 | 109.5° | 109.5° |
| C01 | N01 | HN01 | 109.1° | 109.5° |
| C06 | C07 | C08 | 109.8° | 109.5° |
| C07 | C06 | O01 | 122.3° | 120.0° |
| C06 | C07 | H072 | 109.4° | 109.5° |
| C06 | C07 | H071 | 109.4° | 109.5° |
| C07 | C08 | N03 | 113.3° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.5° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C08 | C07 | H072 | 109.4° | 109.5° |
| C08 | C07 | H071 | 109.4° | 109.4° |
| C72 | C73 | C74 | 107.3° | 107.1° |
| C73 | C72 | N71 | 107.5° | 107.6° |
| C72 | C73 | H73 | 126.3° | 126.4° |
| C73 | C74 | N72 | 125.2° | 126.1° |
| C73 | C74 | C75 | 108.7° | 107.7° |
| C74 | C73 | H73 | 126.3° | 126.5° |
| C08 | N03 | C11 | 123.0° | 120.0° |
| C08 | N03 | HN03 | 118.5° | 119.9° |
| N03 | C08 | H081 | 108.5° | 109.5° |
| N03 | C08 | H082 | 108.5° | 109.4° |
| N21 | C22 | C21 | 121.8° | 126.2° |
| C22 | N21 | CM2 | 128.0° | 125.6° |
| C22 | C21 | N12 | 115.1° | 120.0° |
| C22 | C21 | O21 | 123.5° | 120.0° |
| C72 | N71 | C75 | 109.0° | 108.8° |
| C72 | N71 | CM7 | 128.4° | 125.6° |
| N03 | C11 | C12 | 113.7° | 120.0° |
| N03 | C11 | O11 | 121.2° | 120.0° |
| C11 | N03 | HN03 | 118.5° | 120.1° |
| N21 | CM2 | H222 | 109.5° | 109.5° |
| N21 | CM2 | H221 | 109.4° | 109.5° |
| N21 | CM2 | H223 | 109.5° | 109.4° |
| C21 | N12 | C14 | 127.2° | 120.0° |
| N12 | C21 | O21 | 121.3° | 120.0° |
| C21 | N12 | HN1 | 116.4° | 120.0° |
| N12 | C14 | C13 | 123.7° | 126.1° |
| N12 | C14 | C15 | 128.0° | 126.2° |
| C14 | N12 | HN1 | 116.4° | 119.9° |
| C14 | C13 | C12 | 108.1° | 107.1° |
| C13 | C14 | C15 | 108.3° | 107.7° |
| C14 | C13 | H13 | 126.0° | 126.4° |
| C13 | C12 | C11 | 129.1° | 126.1° |
| C13 | C12 | N11 | 107.5° | 107.7° |
| C12 | C13 | H13 | 126.0° | 126.5° |
| N72 | C74 | C75 | 126.1° | 126.2° |
| C74 | N72 | C81 | 127.6° | 120.0° |
| C74 | N72 | HN7 | 116.2° | 120.0° |
| C74 | C75 | N71 | 107.4° | 108.8° |
| C74 | C75 | H75 | 126.3° | 125.6° |
| C84 | N82 | C82 | 105.5° | 109.2° |
| N82 | C84 | C83 | 110.6° | 108.4° |
| N82 | C84 | H83 | 124.7° | 125.8° |
| N82 | C82 | C81 | 125.1° | 125.8° |
| N82 | C82 | N81 | 111.5° | 108.3° |
| C14 | C15 | N11 | 107.4° | 108.8° |
| C14 | C15 | H15 | 126.3° | 125.5° |
| N72 | C81 | C82 | 113.3° | 120.0° |
| N72 | C81 | O81 | 121.2° | 120.0° |
| C81 | N72 | HN7 | 116.2° | 120.0° |
| C84 | C83 | N81 | 107.3° | 107.1° |
| C84 | C83 | H84 | 126.4° | 126.4° |
| C83 | C84 | H83 | 124.7° | 125.8° |
| C75 | N71 | CM7 | 122.6° | 125.6° |
| N71 | C75 | H75 | 126.3° | 125.7° |
| N71 | CM7 | H773 | 109.5° | 109.5° |
| N71 | CM7 | H772 | 109.5° | 109.4° |
| N71 | CM7 | H771 | 109.4° | 109.5° |
| C12 | C11 | O11 | 125.0° | 120.0° |
| C11 | C12 | N11 | 123.3° | 126.2° |
| C12 | N11 | C15 | 108.6° | 108.7° |
| C12 | N11 | CM1 | 127.4° | 125.7° |
| C81 | C82 | N81 | 123.4° | 125.9° |
| C82 | C81 | O81 | 125.5° | 120.0° |
| C82 | N81 | C83 | 105.1° | 107.0° |
| C82 | N81 | C88 | 133.2° | 126.5° |
| C15 | N11 | CM1 | 123.9° | 125.6° |
| N11 | C15 | H15 | 126.3° | 125.7° |
| C83 | N81 | C88 | 121.6° | 126.5° |
| N81 | C83 | H84 | 126.4° | 126.5° |
| N11 | CM1 | H111 | 109.5° | 109.5° |
| N11 | CM1 | H113 | 109.4° | 109.4° |
| N11 | CM1 | H112 | 109.5° | 109.5° |
| N81 | C88 | C8 | 114.0° | 109.5° |
| N81 | C88 | C9 | 116.0° | 109.5° |
| N81 | C88 | H10 | 104.7° | 109.4° |
| C8 | C88 | C9 | 112.3° | 109.5° |
| C8 | C88 | H10 | 104.1° | 109.4° |
| C88 | C8 | H883 | 109.5° | 109.5° |
| C88 | C8 | H882 | 109.4° | 109.5° |
| C88 | C8 | H881 | 109.5° | 109.5° |
| C9 | C88 | H10 | 104.1° | 109.5° |
| C88 | C9 | H993 | 109.5° | 109.5° |
| C88 | C9 | H991 | 109.5° | 109.5° |
| C88 | C9 | H992 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H005 | C01 | H006 | 109.5° | 109.4° |
| H005 | C01 | H004 | 109.5° | 109.5° |
| H006 | C01 | H004 | 109.5° | 109.4° |
| H002 | C02 | H003 | 109.5° | 109.4° |
| H002 | C02 | H001 | 109.5° | 109.5° |
| H003 | C02 | H001 | 109.5° | 109.5° |
| H111 | CM1 | H113 | 109.5° | 109.5° |
| H111 | CM1 | H112 | 109.5° | 109.5° |
| H113 | CM1 | H112 | 109.5° | 109.4° |
| H222 | CM2 | H221 | 109.5° | 109.5° |
| H222 | CM2 | H223 | 109.5° | 109.5° |
| H221 | CM2 | H223 | 109.5° | 109.4° |
| H333 | CM3 | H332 | 109.5° | 109.4° |
| H333 | CM3 | H331 | 109.5° | 109.4° |
| H332 | CM3 | H331 | 109.5° | 109.5° |
| H441 | CM4 | H443 | 109.5° | 109.5° |
| H441 | CM4 | H442 | 109.5° | 109.5° |
| H443 | CM4 | H442 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H552 | CM5 | H553 | 109.5° | 109.5° |
| H552 | CM5 | H551 | 109.5° | 109.5° |
| H553 | CM5 | H551 | 109.5° | 109.5° |
| H662 | CM6 | H663 | 109.4° | 109.5° |
| H662 | CM6 | H661 | 109.5° | 109.4° |
| H663 | CM6 | H661 | 109.5° | 109.4° |
| H773 | CM7 | H772 | 109.4° | 109.5° |
| H773 | CM7 | H771 | 109.5° | 109.5° |
| H772 | CM7 | H771 | 109.5° | 109.5° |
| H922 | C92 | H921 | 109.4° | 109.5° |
| H932 | C93 | H931 | 109.5° | 109.5° |
| H942 | C94 | H943 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H993 | C9 | H991 | 109.5° | 109.5° |
| H993 | C9 | H992 | 109.4° | 109.4° |
| H991 | C9 | H992 | 109.5° | 109.4° |
| H883 | C8 | H882 | 109.5° | 109.5° |
| H883 | C8 | H881 | 109.5° | 109.4° |
| H882 | C8 | H881 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O91 | C91 | C92 | N43 | 178.2° | 180.0° |
| O91 | C91 | C92 | C93 | 52.0° | 0.1° |
| O91 | C91 | N43 | C43 | 11.6° | 0.0° |
| O91 | C91 | N43 | HN4 | 168.4° | 180.0° |
| O91 | C91 | C92 | H922 | 68.6° | 120.0° |
| O91 | C91 | C92 | H921 | 172.5° | 120.0° |
| CM4 | N41 | C44 | C42 | 179.6° | 179.8° |
| CM4 | N41 | C44 | C43 | 178.1° | 179.7° |
| CM4 | N41 | C42 | N42 | 176.9° | 179.7° |
| CM4 | N41 | C42 | C41 | 4.9° | 0.3° |
| CM4 | N41 | C44 | H44 | 1.8° | 0.2° |
| N41 | CM4 | H441 | H443 | 120.0° | 120.0° |
| N41 | CM4 | H441 | H442 | 120.0° | 119.9° |
| N41 | CM4 | H443 | H442 | 120.0° | 120.0° |
| N41 | C44 | C43 | H44 | 180.0° | 180.0° |
| N41 | C44 | C43 | N43 | 175.3° | 180.0° |
| N41 | C44 | C43 | N42 | 0.2° | 0.0° |
| C44 | N41 | C42 | N42 | 2.7° | 0.0° |
| C44 | N41 | C42 | C41 | 175.6° | 180.0° |
| C44 | N41 | CM4 | H441 | 180.0° | 90.3° |
| C44 | N41 | CM4 | H443 | 60.0° | 29.7° |
| C44 | N41 | CM4 | H442 | 60.0° | 149.7° |
| C44 | C43 | N43 | C91 | 0.7° | 0.0° |
| C43 | C44 | N41 | C42 | 1.4° | 0.0° |
| C44 | C43 | N43 | N42 | 175.0° | 180.0° |
| C44 | C43 | N42 | C42 | 1.8° | 0.0° |
| C44 | C43 | N43 | HN4 | 179.3° | 180.0° |
| O51 | C51 | N91 | C94 | 5.9° | 5.0° |
| O51 | C51 | N91 | C52 | 178.9° | 180.0° |
| O51 | C51 | C52 | N51 | 4.4° | 5.2° |
| O51 | C51 | C52 | C53 | 174.0° | 174.9° |
| O51 | C51 | N91 | HN9 | 174.1° | 175.0° |
| C91 | C92 | C93 | H922 | 120.6° | 119.9° |
| C91 | C92 | C93 | H921 | 120.6° | 120.0° |
| C91 | C92 | C93 | C94 | 76.3° | 180.0° |
| C92 | C91 | N43 | C43 | 166.6° | 180.0° |
| C92 | C91 | N43 | HN4 | 13.4° | 0.1° |
| C91 | C92 | H922 | H921 | 118.3° | 120.0° |
| C91 | C92 | C93 | H932 | 44.7° | 60.1° |
| C91 | C92 | C93 | H931 | 162.8° | 60.0° |
| N43 | C91 | C92 | C93 | 126.2° | 180.0° |
| C91 | N43 | C43 | HN4 | 180.0° | 180.0° |
| C91 | N43 | C43 | N42 | 174.3° | 180.0° |
| N43 | C91 | C92 | H922 | 113.2° | 60.1° |
| N43 | C91 | C92 | H921 | 5.6° | 60.0° |
| C92 | C93 | C94 | H932 | 121.0° | 119.9° |
| C92 | C93 | C94 | H931 | 121.0° | 120.1° |
| C92 | C93 | C94 | N91 | 24.4° | 180.0° |
| C93 | C92 | H922 | H921 | 118.3° | 120.0° |
| C92 | C93 | H932 | H931 | 116.9° | 120.1° |
| C92 | C93 | C94 | H942 | 145.4° | 60.0° |
| C92 | C93 | C94 | H943 | 96.5° | 60.0° |
| C93 | C94 | N91 | H942 | 120.9° | 120.0° |
| C93 | C94 | N91 | H943 | 120.9° | 120.0° |
| C93 | C94 | N91 | C51 | 87.4° | 180.0° |
| C93 | C94 | N91 | HN9 | 92.6° | 0.0° |
| C94 | C93 | C92 | H922 | 163.2° | 60.1° |
| C94 | C93 | C92 | H921 | 44.3° | 59.9° |
| C94 | C93 | H932 | H931 | 116.9° | 120.0° |
| C93 | C94 | H942 | H943 | 117.0° | 120.0° |
| N41 | C42 | N42 | C43 | 2.7° | 0.0° |
| N41 | C42 | N42 | C41 | 178.1° | 180.0° |
| N41 | C42 | C41 | O41 | 3.1° | 0.0° |
| N41 | C42 | C41 | N32 | 176.7° | 180.0° |
| C42 | N41 | C44 | H44 | 178.6° | 180.0° |
| C42 | N41 | CM4 | H441 | 0.5° | 90.0° |
| C42 | N41 | CM4 | H443 | 119.5° | 150.0° |
| C42 | N41 | CM4 | H442 | 120.5° | 30.0° |
| CM5 | N51 | C52 | C51 | 1.5° | 0.2° |
| CM5 | N51 | C52 | C55 | 179.5° | 179.7° |
| CM5 | N51 | C52 | C53 | 179.8° | 179.7° |
| CM5 | N51 | C55 | C54 | 179.4° | 179.7° |
| CM5 | N51 | C55 | H55 | 0.5° | 0.3° |
| N51 | CM5 | H552 | H553 | 120.0° | 120.0° |
| N51 | CM5 | H552 | H551 | 120.0° | 120.0° |
| N51 | CM5 | H553 | H551 | 120.0° | 120.0° |
| N43 | C43 | N42 | C42 | 173.8° | 180.0° |
| N43 | C43 | C44 | H44 | 4.7° | 0.0° |
| C43 | N42 | C42 | C41 | 175.4° | 180.0° |
| N42 | C43 | N43 | HN4 | 5.7° | 0.1° |
| N42 | C43 | C44 | H44 | 179.8° | 180.0° |
| C94 | N91 | C51 | HN9 | 180.0° | 180.0° |
| C94 | N91 | C51 | C52 | 175.2° | 175.0° |
| N91 | C94 | C93 | H932 | 96.5° | 60.0° |
| N91 | C94 | C93 | H931 | 145.4° | 60.0° |
| N91 | C94 | H942 | H943 | 117.1° | 120.0° |
| N91 | C51 | C52 | N51 | 176.8° | 174.8° |
| N91 | C51 | C52 | C53 | 4.9° | 5.1° |
| C51 | N91 | C94 | H942 | 33.5° | 60.0° |
| C51 | N91 | C94 | H943 | 151.6° | 60.0° |
| C51 | C52 | N51 | C53 | 178.7° | 180.0° |
| C51 | C52 | N51 | C55 | 179.0° | 179.9° |
| C51 | C52 | C53 | C54 | 179.2° | 180.0° |
| C52 | C51 | N91 | HN9 | 4.8° | 5.0° |
| C51 | C52 | C53 | H53 | 0.8° | 0.0° |
| C52 | N51 | C55 | C54 | 0.1° | 0.0° |
| N51 | C52 | C53 | C54 | 0.6° | 0.0° |
| N51 | C52 | C53 | H53 | 179.4° | 180.0° |
| C52 | N51 | C55 | H55 | 179.9° | 180.0° |
| C52 | N51 | CM5 | H552 | 180.0° | 94.8° |
| C52 | N51 | CM5 | H553 | 60.0° | 145.2° |
| C52 | N51 | CM5 | H551 | 60.0° | 25.3° |
| C55 | N51 | C52 | C53 | 0.3° | 0.0° |
| N51 | C55 | C54 | H55 | 180.0° | 179.9° |
| N51 | C55 | C54 | C53 | 0.5° | 0.1° |
| N51 | C55 | C54 | N52 | 178.1° | 179.9° |
| C55 | N51 | CM5 | H552 | 0.6° | 85.6° |
| C55 | N51 | CM5 | H553 | 120.6° | 34.4° |
| C55 | N51 | CM5 | H551 | 119.4° | 154.4° |
| N42 | C42 | C41 | O41 | 174.8° | 180.0° |
| N42 | C42 | C41 | N32 | 5.4° | 0.0° |
| C42 | C41 | O41 | N32 | 179.8° | 180.0° |
| C42 | C41 | N32 | C34 | 173.3° | 180.0° |
| C42 | C41 | N32 | HN3 | 6.7° | 0.0° |
| C52 | C53 | C54 | C55 | 0.7° | 0.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | N52 | 177.9° | 180.0° |
| O41 | C41 | N32 | C34 | 6.9° | 0.1° |
| O41 | C41 | N32 | HN3 | 173.2° | 180.0° |
| C41 | N32 | C34 | HN3 | 180.0° | 179.9° |
| C41 | N32 | C34 | C35 | 7.2° | 180.0° |
| C41 | N32 | C34 | C33 | 174.4° | 0.1° |
| C55 | C54 | C53 | N52 | 178.7° | 180.0° |
| C55 | C54 | N52 | C61 | 13.0° | 180.0° |
| C55 | C54 | N52 | HN5 | 167.0° | 0.0° |
| C55 | C54 | C53 | H53 | 179.3° | 180.0° |
| C53 | C54 | N52 | C61 | 165.4° | 0.0° |
| C53 | C54 | N52 | HN5 | 14.6° | 180.0° |
| C53 | C54 | C55 | H55 | 179.5° | 180.0° |
| C54 | N52 | C61 | HN5 | 180.0° | 180.0° |
| C54 | N52 | C61 | O61 | 0.4° | 5.3° |
| C54 | N52 | C61 | C62 | 178.0° | 174.8° |
| N52 | C54 | C53 | H53 | 2.0° | 0.0° |
| N52 | C54 | C55 | H55 | 1.9° | 0.0° |
| N32 | C34 | C35 | C33 | 178.6° | 179.9° |
| N32 | C34 | C35 | N31 | 179.7° | 180.0° |
| N32 | C34 | C33 | C32 | 178.1° | 179.8° |
| N32 | C34 | C35 | H35 | 0.3° | 0.1° |
| N32 | C34 | C33 | H33 | 1.9° | 0.1° |
| C34 | C35 | N31 | H35 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.5° | 0.0° |
| C34 | C35 | N31 | CM3 | 175.4° | 180.0° |
| C34 | C35 | N31 | C32 | 2.4° | 0.2° |
| C35 | C34 | N32 | HN3 | 172.8° | 0.1° |
| C35 | C34 | C33 | H33 | 179.5° | 180.0° |
| C33 | C34 | C35 | N31 | 1.2° | 0.1° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | N31 | 1.9° | 0.2° |
| C34 | C33 | C32 | C31 | 175.2° | 179.9° |
| C33 | C34 | N32 | HN3 | 5.6° | 179.8° |
| C33 | C34 | C35 | H35 | 178.8° | 179.8° |
| C35 | N31 | C32 | C33 | 2.7° | 0.3° |
| C35 | N31 | CM3 | C32 | 177.3° | 179.7° |
| C35 | N31 | C32 | C31 | 174.7° | 179.8° |
| C35 | N31 | CM3 | H333 | 180.0° | 85.5° |
| C35 | N31 | CM3 | H332 | 60.0° | 34.4° |
| C35 | N31 | CM3 | H331 | 60.0° | 154.5° |
| N52 | C61 | O61 | C62 | 177.4° | 179.9° |
| N52 | C61 | C62 | C63 | 10.0° | 5.1° |
| N52 | C61 | C62 | N61 | 169.8° | 174.9° |
| O61 | C61 | C62 | C63 | 172.5° | 174.9° |
| O61 | C61 | C62 | N61 | 7.7° | 5.1° |
| O61 | C61 | N52 | HN5 | 179.6° | 174.7° |
| C61 | C62 | C63 | N61 | 179.9° | 180.0° |
| C61 | C62 | N61 | CM6 | 1.3° | 0.2° |
| C61 | C62 | C63 | C64 | 178.4° | 179.8° |
| C61 | C62 | N61 | C65 | 178.5° | 180.0° |
| C62 | C61 | N52 | HN5 | 2.0° | 5.2° |
| C61 | C62 | C63 | H63 | 1.6° | 0.2° |
| C33 | C32 | N31 | CM3 | 174.9° | 180.0° |
| C33 | C32 | N31 | C31 | 177.4° | 180.0° |
| C33 | C32 | C31 | N22 | 13.0° | 4.9° |
| C33 | C32 | C31 | O31 | 168.2° | 175.0° |
| CM3 | N31 | C32 | C31 | 7.7° | 0.0° |
| CM3 | N31 | C35 | H35 | 4.6° | 0.0° |
| N31 | CM3 | H333 | H332 | 120.0° | 120.0° |
| N31 | CM3 | H333 | H331 | 120.0° | 120.1° |
| N31 | CM3 | H332 | H331 | 120.0° | 120.1° |
| N31 | C32 | C31 | N22 | 170.3° | 175.0° |
| N31 | C32 | C31 | O31 | 8.4° | 5.0° |
| C32 | N31 | C35 | H35 | 177.6° | 179.7° |
| C32 | N31 | CM3 | H333 | 2.7° | 94.7° |
| C32 | N31 | CM3 | H332 | 117.3° | 145.3° |
| C32 | N31 | CM3 | H331 | 122.7° | 25.2° |
| N31 | C32 | C33 | H33 | 178.1° | 179.9° |
| C32 | C31 | N22 | O31 | 178.8° | 180.0° |
| C32 | C31 | N22 | C24 | 177.3° | 174.7° |
| C32 | C31 | N22 | HN2 | 2.7° | 5.3° |
| C31 | C32 | C33 | H33 | 4.9° | 0.1° |
| C63 | C62 | N61 | CM6 | 178.6° | 179.8° |
| C62 | C63 | C64 | H63 | 180.0° | 179.6° |
| C63 | C62 | N61 | C65 | 1.4° | 0.0° |
| C62 | C63 | C64 | C65 | 1.1° | 0.3° |
| C62 | C63 | C64 | N62 | 178.0° | 179.6° |
| C62 | N61 | CM6 | C65 | 176.9° | 179.7° |
| N61 | C62 | C63 | C64 | 1.5° | 0.2° |
| C62 | N61 | C65 | C64 | 0.7° | 0.2° |
| N61 | C62 | C63 | H63 | 178.5° | 179.8° |
| C62 | N61 | C65 | H65 | 179.3° | 179.7° |
| C62 | N61 | CM6 | H662 | 180.0° | 84.6° |
| C62 | N61 | CM6 | H663 | 60.0° | 35.4° |
| C62 | N61 | CM6 | H661 | 60.0° | 155.5° |
| CM6 | N61 | C65 | C64 | 178.1° | 180.0° |
| CM6 | N61 | C65 | H65 | 1.9° | 0.1° |
| N61 | CM6 | H662 | H663 | 120.0° | 120.0° |
| N61 | CM6 | H662 | H661 | 120.0° | 120.0° |
| N61 | CM6 | H663 | H661 | 120.0° | 120.1° |
| C63 | C64 | C65 | N61 | 0.3° | 0.3° |
| C63 | C64 | C65 | N62 | 179.1° | 179.9° |
| C63 | C64 | N62 | C71 | 162.8° | 0.1° |
| C63 | C64 | N62 | HN6 | 17.2° | 180.0° |
| C63 | C64 | C65 | H65 | 179.7° | 179.6° |
| N61 | C65 | C64 | H65 | 180.0° | 179.9° |
| N61 | C65 | C64 | N62 | 178.8° | 179.6° |
| C65 | N61 | CM6 | H662 | 3.1° | 95.2° |
| C65 | N61 | CM6 | H663 | 123.1° | 144.8° |
| C65 | N61 | CM6 | H661 | 116.9° | 24.8° |
| C31 | N22 | C24 | HN2 | 180.0° | 180.0° |
| C31 | N22 | C24 | C23 | 165.3° | 0.0° |
| C31 | N22 | C24 | C25 | 13.3° | 180.0° |
| O31 | C31 | N22 | C24 | 3.9° | 5.3° |
| O31 | C31 | N22 | HN2 | 176.1° | 174.7° |
| N22 | C24 | C23 | C25 | 178.9° | 180.0° |
| N22 | C24 | C23 | C22 | 177.4° | 180.0° |
| N22 | C24 | C25 | N21 | 178.1° | 179.9° |
| N22 | C24 | C25 | H25 | 1.9° | 0.2° |
| N22 | C24 | C23 | H23 | 2.6° | 0.0° |
| C65 | C64 | N62 | C71 | 16.2° | 180.0° |
| C65 | C64 | N62 | HN6 | 163.8° | 0.1° |
| C65 | C64 | C63 | H63 | 178.9° | 180.0° |
| C64 | N62 | C71 | HN6 | 180.0° | 179.9° |
| C64 | N62 | C71 | O71 | 3.3° | 5.3° |
| C64 | N62 | C71 | C72 | 177.8° | 174.7° |
| N62 | C64 | C63 | H63 | 2.0° | 0.0° |
| N62 | C64 | C65 | H65 | 1.2° | 0.5° |
| N62 | C71 | O71 | C72 | 178.8° | 180.0° |
| N62 | C71 | C72 | C73 | 8.8° | 5.1° |
| N62 | C71 | C72 | N71 | 173.3° | 174.9° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C23 | C24 | C25 | N21 | 0.7° | 0.1° |
| C24 | C23 | C22 | N21 | 1.5° | 0.1° |
| C24 | C23 | C22 | C21 | 179.0° | 179.9° |
| C23 | C24 | N22 | HN2 | 14.7° | 180.0° |
| C23 | C24 | C25 | H25 | 179.3° | 179.8° |
| C25 | C24 | C23 | C22 | 1.4° | 0.0° |
| C24 | C25 | N21 | H25 | 180.0° | 179.9° |
| C24 | C25 | N21 | C22 | 0.2° | 0.2° |
| C24 | C25 | N21 | CM2 | 177.4° | 180.0° |
| C25 | C24 | N22 | HN2 | 166.6° | 0.0° |
| C25 | C24 | C23 | H23 | 178.5° | 180.0° |
| C05 | C04 | C03 | H041 | 120.5° | 120.1° |
| C05 | C04 | C03 | H042 | 120.5° | 120.0° |
| C04 | C05 | N02 | H052 | 120.5° | 120.0° |
| C04 | C05 | N02 | H051 | 120.5° | 119.9° |
| C04 | C05 | N02 | C06 | 97.1° | 180.0° |
| C05 | C04 | C03 | N01 | 167.2° | 180.0° |
| C05 | C04 | C03 | H032 | 71.9° | 60.0° |
| C05 | C04 | C03 | H031 | 46.4° | 59.9° |
| C05 | C04 | H041 | H042 | 118.4° | 120.0° |
| C04 | C05 | H052 | H051 | 118.4° | 120.0° |
| C04 | C05 | N02 | HN02 | 83.0° | 0.1° |
| C03 | C04 | C05 | N02 | 75.7° | 180.0° |
| C04 | C03 | N01 | C02 | 57.7° | 175.0° |
| C04 | C03 | N01 | H032 | 120.8° | 120.0° |
| C04 | C03 | N01 | H031 | 120.8° | 120.0° |
| C04 | C03 | N01 | C01 | 178.0° | 65.0° |
| C04 | C03 | H032 | H031 | 117.4° | 119.9° |
| C03 | C04 | H041 | H042 | 118.4° | 119.9° |
| C03 | C04 | C05 | H052 | 44.8° | 60.0° |
| C03 | C04 | C05 | H051 | 163.7° | 60.1° |
| C04 | C03 | N01 | HN01 | 63.0° | 55.0° |
| C23 | C22 | N21 | C25 | 1.1° | 0.2° |
| C23 | C22 | N21 | C21 | 179.5° | 180.0° |
| C23 | C22 | N21 | CM2 | 178.1° | 180.0° |
| C23 | C22 | C21 | N12 | 12.5° | 5.1° |
| C23 | C22 | C21 | O21 | 170.2° | 174.9° |
| C05 | N02 | C06 | HN02 | 180.0° | 179.9° |
| C05 | N02 | C06 | C07 | 152.3° | 180.0° |
| C05 | N02 | C06 | O01 | 22.8° | 0.0° |
| N02 | C05 | C04 | H041 | 44.8° | 59.9° |
| N02 | C05 | C04 | H042 | 163.7° | 60.0° |
| N02 | C05 | H052 | H051 | 118.4° | 120.0° |
| N02 | C06 | C07 | O01 | 175.1° | 180.0° |
| N02 | C06 | C07 | C08 | 82.5° | 180.0° |
| C06 | N02 | C05 | H052 | 23.5° | 60.0° |
| C06 | N02 | C05 | H051 | 142.4° | 60.0° |
| N02 | C06 | C07 | H072 | 37.5° | 60.0° |
| N02 | C06 | C07 | H071 | 157.4° | 60.0° |
| C02 | N01 | C03 | C01 | 120.3° | 120.0° |
| C02 | N01 | C03 | HN01 | 120.7° | 120.0° |
| C02 | N01 | C01 | HN01 | 119.0° | 119.9° |
| C02 | N01 | C03 | H032 | 63.2° | 64.9° |
| C02 | N01 | C03 | H031 | 178.5° | 55.0° |
| C02 | N01 | C01 | H005 | 180.0° | 60.0° |
| C02 | N01 | C01 | H006 | 60.0° | 180.0° |
| C02 | N01 | C01 | H004 | 60.0° | 60.1° |
| N01 | C02 | H002 | H003 | 120.0° | 120.0° |
| N01 | C02 | H002 | H001 | 120.0° | 120.0° |
| N01 | C02 | H003 | H001 | 120.0° | 120.0° |
| C25 | N21 | C22 | CM2 | 177.0° | 179.7° |
| C25 | N21 | C22 | C21 | 179.4° | 179.8° |
| C25 | N21 | CM2 | H222 | 180.0° | 95.1° |
| C25 | N21 | CM2 | H221 | 60.0° | 144.8° |
| C25 | N21 | CM2 | H223 | 60.0° | 24.9° |
| O71 | C71 | C72 | C73 | 172.4° | 174.9° |
| O71 | C71 | C72 | N71 | 5.5° | 5.1° |
| O71 | C71 | N62 | HN6 | 176.7° | 174.8° |
| C71 | C72 | C73 | N71 | 178.1° | 180.0° |
| C71 | C72 | C73 | C74 | 176.4° | 179.8° |
| C71 | C72 | N71 | C75 | 175.6° | 180.0° |
| C71 | C72 | N71 | CM7 | 7.3° | 0.3° |
| C72 | C71 | N62 | HN6 | 2.2° | 5.2° |
| C71 | C72 | C73 | H73 | 3.6° | 0.0° |
| C03 | N01 | C01 | HN01 | 119.1° | 120.0° |
| N01 | C03 | H032 | H031 | 117.4° | 120.0° |
| N01 | C03 | C04 | H041 | 46.7° | 59.9° |
| N01 | C03 | C04 | H042 | 72.2° | 60.0° |
| C03 | N01 | C01 | H005 | 58.0° | 180.0° |
| C03 | N01 | C01 | H006 | 178.1° | 60.0° |
| C03 | N01 | C01 | H004 | 62.0° | 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° |
| C01 | N01 | C03 | H032 | 57.1° | 55.0° |
| C01 | N01 | C03 | H031 | 61.2° | 175.0° |
| N01 | C01 | H005 | H006 | 120.0° | 120.0° |
| N01 | C01 | H005 | H004 | 120.0° | 120.1° |
| N01 | C01 | H006 | H004 | 120.0° | 120.0° |
| C01 | N01 | C02 | H002 | 59.6° | 180.0° |
| C01 | N01 | C02 | H003 | 179.6° | 60.0° |
| C01 | N01 | C02 | H001 | 60.4° | 60.0° |
| C06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C06 | C07 | C08 | H071 | 120.1° | 120.0° |
| C06 | C07 | C08 | N03 | 158.0° | 180.0° |
| C07 | C06 | N02 | HN02 | 27.7° | 0.0° |
| C06 | C07 | C08 | H081 | 37.4° | 59.9° |
| C06 | C07 | C08 | H082 | 81.4° | 60.1° |
| C06 | C07 | H072 | H071 | 119.9° | 120.0° |
| C08 | C07 | C06 | O01 | 92.5° | 0.0° |
| C07 | C08 | N03 | H081 | 120.5° | 120.1° |
| C07 | C08 | N03 | H082 | 120.6° | 120.0° |
| C07 | C08 | N03 | C11 | 93.6° | 180.0° |
| C07 | C08 | N03 | HN03 | 86.4° | 0.1° |
| C07 | C08 | H081 | H082 | 118.2° | 120.0° |
| C08 | C07 | H072 | H071 | 119.8° | 120.0° |
| O01 | C06 | N02 | HN02 | 157.2° | 180.0° |
| O01 | C06 | C07 | H072 | 147.4° | 120.0° |
| O01 | C06 | C07 | H071 | 27.5° | 120.0° |
| C72 | C73 | C74 | H73 | 180.0° | 179.8° |
| C72 | C73 | C74 | N72 | 179.7° | 180.0° |
| C72 | C73 | C74 | C75 | 0.1° | 0.3° |
| C73 | C72 | N71 | C75 | 2.7° | 0.0° |
| C73 | C72 | N71 | CM7 | 174.4° | 179.7° |
| C74 | C73 | C72 | N71 | 1.7° | 0.2° |
| C73 | C74 | N72 | C75 | 179.7° | 179.6° |
| C73 | C74 | N72 | C81 | 170.0° | 0.4° |
| C73 | C74 | C75 | N71 | 1.6° | 0.4° |
| C73 | C74 | N72 | HN7 | 10.0° | 179.5° |
| C73 | C74 | C75 | H75 | 178.4° | 179.6° |
| C08 | N03 | C11 | HN03 | 180.0° | 179.9° |
| C08 | N03 | C11 | C12 | 174.9° | 175.0° |
| C08 | N03 | C11 | O11 | 6.1° | 5.0° |
| N03 | C08 | H081 | H082 | 118.3° | 119.9° |
| N03 | C08 | C07 | H072 | 82.0° | 60.0° |
| N03 | C08 | C07 | H071 | 37.9° | 60.0° |
| N21 | C22 | C21 | N12 | 168.1° | 174.9° |
| N21 | C22 | C21 | O21 | 9.2° | 5.1° |
| C22 | N21 | C25 | H25 | 179.8° | 179.7° |
| C22 | N21 | CM2 | H222 | 3.4° | 84.6° |
| C22 | N21 | CM2 | H221 | 116.6° | 35.5° |
| C22 | N21 | CM2 | H223 | 123.4° | 155.4° |
| N21 | C22 | C23 | H23 | 178.4° | 179.9° |
| C21 | C22 | N21 | CM2 | 2.4° | 0.1° |
| C22 | C21 | N12 | O21 | 177.4° | 180.0° |
| C22 | C21 | N12 | C14 | 178.9° | 174.7° |
| C22 | C21 | N12 | HN1 | 1.1° | 5.3° |
| C21 | C22 | C23 | H23 | 1.0° | 0.1° |
| C72 | N71 | C75 | C74 | 2.7° | 0.2° |
| C72 | N71 | C75 | CM7 | 177.3° | 179.7° |
| C72 | N71 | C75 | H75 | 177.3° | 179.7° |
| C72 | N71 | CM7 | H773 | 180.0° | 94.4° |
| C72 | N71 | CM7 | H772 | 60.0° | 25.6° |
| C72 | N71 | CM7 | H771 | 60.0° | 145.5° |
| N71 | C72 | C73 | H73 | 178.3° | 180.0° |
| N03 | C11 | C12 | C13 | 6.2° | 5.0° |
| N03 | C11 | C12 | O11 | 179.0° | 180.0° |
| N03 | C11 | C12 | N11 | 177.6° | 175.0° |
| C11 | N03 | C08 | H081 | 27.0° | 59.9° |
| C11 | N03 | C08 | H082 | 145.8° | 60.0° |
| CM2 | N21 | C25 | H25 | 2.6° | 0.0° |
| N21 | CM2 | H222 | H221 | 120.0° | 120.1° |
| N21 | CM2 | H222 | H223 | 120.0° | 120.0° |
| N21 | CM2 | H221 | H223 | 120.0° | 119.9° |
| C21 | N12 | C14 | HN1 | 180.0° | 180.0° |
| C21 | N12 | C14 | C13 | 169.6° | 0.3° |
| C21 | N12 | C14 | C15 | 10.8° | 180.0° |
| N12 | C14 | C13 | C15 | 179.7° | 179.7° |
| N12 | C14 | C13 | C12 | 176.5° | 179.7° |
| C14 | N12 | C21 | O21 | 3.8° | 5.3° |
| N12 | C14 | C15 | N11 | 178.1° | 179.7° |
| N12 | C14 | C13 | H13 | 3.4° | 0.3° |
| N12 | C14 | C15 | H15 | 1.8° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 173.3° | 180.0° |
| C14 | C13 | C12 | N11 | 3.5° | 0.0° |
| C13 | C14 | C15 | N11 | 1.5° | 0.0° |
| C13 | C14 | N12 | HN1 | 10.4° | 179.7° |
| C13 | C14 | C15 | H15 | 178.5° | 180.0° |
| C12 | C13 | C14 | C15 | 3.1° | 0.0° |
| C13 | C12 | C11 | N11 | 176.3° | 180.0° |
| C13 | C12 | C11 | O11 | 172.8° | 175.0° |
| C13 | C12 | N11 | C15 | 2.6° | 0.0° |
| C13 | C12 | N11 | CM1 | 177.7° | 180.0° |
| O21 | C21 | N12 | HN1 | 176.3° | 174.7° |
| C74 | N72 | C81 | HN7 | 180.0° | 180.0° |
| N72 | C74 | C75 | N71 | 178.6° | 180.0° |
| C74 | N72 | C81 | C82 | 173.5° | 180.0° |
| C74 | N72 | C81 | O81 | 6.8° | 0.1° |
| N72 | C74 | C75 | H75 | 1.3° | 0.0° |
| N72 | C74 | C73 | H73 | 0.3° | 0.2° |
| C75 | C74 | N72 | C81 | 10.3° | 180.0° |
| C74 | C75 | N71 | H75 | 180.0° | 180.0° |
| C74 | C75 | N71 | CM7 | 174.6° | 179.9° |
| C75 | C74 | N72 | HN7 | 169.7° | 0.1° |
| C75 | C74 | C73 | H73 | 179.9° | 179.9° |
| N82 | C84 | C83 | H83 | 180.0° | 179.6° |
| C84 | N82 | C82 | C81 | 177.5° | 179.7° |
| C84 | N82 | C82 | N81 | 1.0° | 0.3° |
| N82 | C84 | C83 | N81 | 0.3° | 0.4° |
| N82 | C84 | C83 | H84 | 179.7° | 179.8° |
| N82 | C82 | C81 | N72 | 1.9° | 0.0° |
| C82 | N82 | C84 | C83 | 0.8° | 0.4° |
| N82 | C82 | C81 | N81 | 178.4° | 180.0° |
| N82 | C82 | C81 | O81 | 178.4° | 180.0° |
| N82 | C82 | N81 | C83 | 0.9° | 0.0° |
| N82 | C82 | N81 | C88 | 177.6° | 180.0° |
| C82 | N82 | C84 | H83 | 179.2° | 180.0° |
| C14 | C15 | N11 | C12 | 0.6° | 0.0° |
| C14 | C15 | N11 | H15 | 180.0° | 180.0° |
| C14 | C15 | N11 | CM1 | 179.7° | 180.0° |
| C15 | C14 | C13 | H13 | 176.9° | 180.0° |
| C15 | C14 | N12 | HN1 | 169.2° | 0.0° |
| N72 | C81 | C82 | O81 | 179.7° | 180.0° |
| N72 | C81 | C82 | N81 | 179.8° | 180.0° |
| C84 | C83 | N81 | C82 | 0.3° | 0.3° |
| C84 | C83 | N81 | H84 | 180.0° | 179.8° |
| C84 | C83 | N81 | C88 | 178.4° | 179.8° |
| C75 | N71 | CM7 | H773 | 3.3° | 85.2° |
| C75 | N71 | CM7 | H772 | 123.2° | 154.8° |
| C75 | N71 | CM7 | H771 | 116.8° | 34.8° |
| CM7 | N71 | C75 | H75 | 5.3° | 0.0° |
| N71 | CM7 | H773 | H772 | 120.0° | 119.9° |
| N71 | CM7 | H773 | H771 | 120.0° | 120.0° |
| N71 | CM7 | H772 | H771 | 120.0° | 120.0° |
| C11 | C12 | N11 | C15 | 174.4° | 180.0° |
| C11 | C12 | N11 | CM1 | 5.3° | 0.0° |
| C12 | C11 | N03 | HN03 | 5.1° | 5.0° |
| C11 | C12 | C13 | H13 | 6.7° | 0.0° |
| O11 | C11 | C12 | N11 | 3.5° | 5.0° |
| O11 | C11 | N03 | HN03 | 173.9° | 174.9° |
| C12 | N11 | C15 | CM1 | 179.7° | 180.0° |
| N11 | C12 | C13 | H13 | 176.6° | 180.0° |
| C12 | N11 | C15 | H15 | 179.3° | 180.0° |
| C12 | N11 | CM1 | H111 | 180.0° | 84.8° |
| C12 | N11 | CM1 | H113 | 60.0° | 35.2° |
| C12 | N11 | CM1 | H112 | 60.0° | 155.1° |
| C81 | C82 | N81 | C83 | 177.7° | 180.0° |
| C81 | C82 | N81 | C88 | 3.8° | 0.0° |
| C82 | C81 | N72 | HN7 | 6.5° | 0.0° |
| N81 | C82 | C81 | O81 | 0.1° | 0.0° |
| C82 | N81 | C83 | C88 | 178.7° | 180.0° |
| C82 | N81 | C88 | C8 | 69.4° | 120.0° |
| C82 | N81 | C88 | C9 | 63.5° | 119.9° |
| C82 | N81 | C83 | H84 | 179.7° | 179.9° |
| C82 | N81 | C88 | H10 | 177.5° | 0.1° |
| O81 | C81 | N72 | HN7 | 173.2° | 180.0° |
| C15 | N11 | CM1 | H111 | 0.3° | 95.2° |
| C15 | N11 | CM1 | H113 | 119.7° | 144.8° |
| C15 | N11 | CM1 | H112 | 120.3° | 24.9° |
| C83 | N81 | C88 | C8 | 108.9° | 60.0° |
| C83 | N81 | C88 | C9 | 118.2° | 60.0° |
| C83 | N81 | C88 | H10 | 4.2° | 179.9° |
| N81 | C83 | C84 | H83 | 179.7° | 180.0° |
| CM1 | N11 | C15 | H15 | 0.4° | 0.0° |
| N11 | CM1 | H111 | H113 | 120.0° | 119.9° |
| N11 | CM1 | H111 | H112 | 120.0° | 120.1° |
| N11 | CM1 | H113 | H112 | 120.0° | 120.0° |
| N81 | C88 | C8 | C9 | 134.5° | 120.0° |
| N81 | C88 | C8 | H10 | 113.5° | 119.9° |
| N81 | C88 | C9 | H10 | 114.4° | 120.0° |
| C88 | N81 | C83 | H84 | 1.6° | 0.0° |
| N81 | C88 | C9 | H993 | 180.0° | 180.0° |
| N81 | C88 | C9 | H991 | 60.0° | 60.0° |
| N81 | C88 | C9 | H992 | 60.0° | 60.0° |
| N81 | C88 | C8 | H883 | 180.0° | 60.0° |
| N81 | C88 | C8 | H882 | 60.0° | 180.0° |
| N81 | C88 | C8 | H881 | 60.0° | 60.0° |
| C8 | C88 | C9 | H10 | 112.0° | 120.0° |
| C8 | C88 | C9 | H993 | 46.4° | 60.0° |
| C8 | C88 | C9 | H991 | 166.4° | 180.0° |
| C8 | C88 | C9 | H992 | 73.6° | 60.0° |
| C88 | C8 | H883 | H882 | 120.0° | 120.0° |
| C88 | C8 | H883 | H881 | 120.0° | 120.0° |
| C88 | C8 | H882 | H881 | 120.0° | 120.0° |
| C88 | C9 | H993 | H991 | 120.0° | 120.0° |
| C88 | C9 | H993 | H992 | 120.0° | 120.0° |
| C88 | C9 | H991 | H992 | 120.0° | 120.0° |
| C9 | C88 | C8 | H883 | 45.5° | 180.0° |
| C9 | C88 | C8 | H882 | 74.6° | 60.0° |
| C9 | C88 | C8 | H881 | 165.5° | 60.0° |
| H032 | C03 | C04 | H041 | 167.6° | 60.1° |
| H032 | C03 | C04 | H042 | 48.6° | 180.0° |
| H032 | C03 | N01 | HN01 | 176.2° | 175.1° |
| H031 | C03 | C04 | H041 | 74.1° | 180.0° |
| H031 | C03 | C04 | H042 | 167.0° | 60.1° |
| H031 | C03 | N01 | HN01 | 57.8° | 65.0° |
| H041 | C04 | C05 | H052 | 165.3° | 180.0° |
| H041 | C04 | C05 | H051 | 75.8° | 60.0° |
| H042 | C04 | C05 | H052 | 75.7° | 60.0° |
| H042 | C04 | C05 | H051 | 43.2° | 180.0° |
| H052 | C05 | N02 | HN02 | 156.5° | 119.9° |
| H051 | C05 | N02 | HN02 | 37.6° | 120.0° |
| H005 | C01 | H006 | H004 | 120.0° | 120.0° |
| H005 | C01 | N01 | HN01 | 61.0° | 59.9° |
| H006 | C01 | N01 | HN01 | 59.0° | 60.1° |
| H004 | C01 | N01 | HN01 | 179.0° | 180.0° |
| H002 | C02 | H003 | H001 | 120.0° | 120.0° |
| H002 | C02 | N01 | HN01 | 59.4° | 60.0° |
| H003 | C02 | N01 | HN01 | 60.6° | 59.9° |
| H001 | C02 | N01 | HN01 | 179.3° | 179.9° |
| HN03 | N03 | C08 | H081 | 153.1° | 120.0° |
| HN03 | N03 | C08 | H082 | 34.2° | 120.0° |
| H111 | CM1 | H113 | H112 | 120.0° | 120.1° |
| H222 | CM2 | H221 | H223 | 120.0° | 120.0° |
| HN9 | N91 | C94 | H942 | 146.5° | 120.0° |
| HN9 | N91 | C94 | H943 | 28.4° | 120.0° |
| H333 | CM3 | H332 | H331 | 120.0° | 120.0° |
| H441 | CM4 | H443 | H442 | 120.0° | 120.0° |
| H081 | C08 | C07 | H072 | 157.5° | 180.0° |
| H081 | C08 | C07 | H071 | 82.6° | 60.0° |
| H082 | C08 | C07 | H072 | 38.6° | 60.0° |
| H082 | C08 | C07 | H071 | 158.5° | 180.0° |
| H552 | CM5 | H553 | H551 | 120.0° | 120.1° |
| H662 | CM6 | H663 | H661 | 120.0° | 119.9° |
| H773 | CM7 | H772 | H771 | 120.0° | 120.0° |
| H922 | C92 | C93 | H932 | 75.8° | 180.0° |
| H922 | C92 | C93 | H931 | 42.2° | 59.9° |
| H921 | C92 | C93 | H932 | 165.3° | 60.0° |
| H921 | C92 | C93 | H931 | 76.7° | 180.0° |
| H932 | C93 | C94 | H942 | 24.4° | 60.0° |
| H932 | C93 | C94 | H943 | 142.5° | 180.0° |
| H931 | C93 | C94 | H942 | 93.6° | 180.0° |
| H931 | C93 | C94 | H943 | 24.5° | 60.0° |
| H84 | C83 | C84 | H83 | 0.3° | 0.2° |
| H10 | C88 | C9 | H993 | 65.6° | 60.0° |
| H10 | C88 | C9 | H991 | 54.4° | 60.1° |
| H10 | C88 | C9 | H992 | 174.4° | 180.0° |
| H10 | C88 | C8 | H883 | 66.5° | 60.0° |
| H10 | C88 | C8 | H882 | 173.4° | 60.1° |
| H10 | C88 | C8 | H881 | 53.5° | 180.0° |
| H993 | C9 | H991 | H992 | 120.0° | 120.0° |
| H883 | C8 | H882 | H881 | 120.0° | 120.0° |
