CWN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N01 | sing | 1.47Å | 1.53Å | |
| N01 | C03 | sing | 1.47Å | 1.53Å | |
| N01 | C02 | sing | 1.47Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C06 | sing | 1.35Å | 1.37Å | |
| C92 | C93 | sing | 1.53Å | 1.55Å | |
| C92 | C91 | sing | 1.51Å | 1.53Å | |
| C93 | C94 | sing | 1.53Å | 1.54Å | |
| C06 | O01 | doub | 1.21Å | 1.22Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C91 | O91 | doub | 1.21Å | 1.22Å | |
| C91 | N43 | sing | 1.35Å | 1.38Å | |
| C94 | N91 | sing | 1.47Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| N43 | C43 | sing | 1.40Å | 1.37Å | |
| N91 | C51 | sing | 1.35Å | 1.38Å | |
| C08 | N03 | sing | 1.47Å | 1.47Å | |
| C43 | C44 | doub | 1.36Å | 1.37Å | Aromatic |
| C43 | N42 | sing | 1.33Å | 1.37Å | Aromatic |
| O51 | C51 | doub | 1.22Å | 1.22Å | |
| C44 | N41 | sing | 1.36Å | 1.37Å | Aromatic |
| C51 | C52 | sing | 1.47Å | 1.49Å | |
| N42 | C42 | doub | 1.32Å | 1.33Å | Aromatic |
| N03 | C11 | sing | 1.35Å | 1.38Å | |
| C83 | S81 | sing | 1.71Å | 1.74Å | Aromatic |
| C83 | N81 | doub | 1.29Å | 1.32Å | Aromatic |
| S81 | C84 | sing | 1.71Å | 1.74Å | Aromatic |
| N41 | C42 | sing | 1.37Å | 1.39Å | Aromatic |
| N41 | CM4 | sing | 1.46Å | 1.47Å | |
| C52 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | N51 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.47Å | 1.51Å | |
| O11 | C11 | doub | 1.22Å | 1.22Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C53 | C54 | sing | 1.40Å | 1.41Å | Aromatic |
| N81 | C82 | sing | 1.34Å | 1.39Å | Aromatic |
| N51 | CM5 | sing | 1.46Å | 1.47Å | |
| N51 | C55 | sing | 1.36Å | 1.39Å | Aromatic |
| C84 | C82 | doub | 1.35Å | 1.39Å | Aromatic |
| C84 | CM8 | sing | 1.51Å | 1.51Å | |
| C41 | N32 | sing | 1.35Å | 1.40Å | |
| C41 | O41 | doub | 1.22Å | 1.23Å | |
| N32 | C34 | sing | 1.41Å | 1.40Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N11 | sing | 1.38Å | 1.40Å | Aromatic |
| C82 | C81 | sing | 1.47Å | 1.50Å | |
| C54 | C55 | doub | 1.36Å | 1.37Å | Aromatic |
| C54 | N52 | sing | 1.41Å | 1.39Å | |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| N52 | C61 | sing | 1.35Å | 1.39Å | |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| N72 | C81 | sing | 1.35Å | 1.39Å | |
| N72 | C74 | sing | 1.41Å | 1.39Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| N11 | CM1 | sing | 1.46Å | 1.47Å | |
| N11 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C81 | O81 | doub | 1.22Å | 1.23Å | |
| C14 | N12 | sing | 1.41Å | 1.39Å | |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C63 | C62 | doub | 1.38Å | 1.38Å | Aromatic |
| C63 | C64 | sing | 1.40Å | 1.42Å | Aromatic |
| N12 | C21 | sing | 1.35Å | 1.39Å | |
| C73 | C74 | sing | 1.40Å | 1.42Å | Aromatic |
| C73 | C72 | doub | 1.38Å | 1.38Å | Aromatic |
| C61 | C62 | sing | 1.47Å | 1.49Å | |
| C61 | O61 | doub | 1.22Å | 1.22Å | |
| C74 | C75 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | N31 | sing | 1.36Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | N31 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.47Å | 1.49Å | |
| N22 | C24 | sing | 1.41Å | 1.40Å | |
| N22 | C31 | sing | 1.35Å | 1.39Å | |
| C62 | N61 | sing | 1.38Å | 1.40Å | Aromatic |
| N62 | C64 | sing | 1.41Å | 1.40Å | |
| N62 | C71 | sing | 1.35Å | 1.39Å | |
| C64 | C65 | doub | 1.36Å | 1.37Å | Aromatic |
| N31 | CM3 | sing | 1.46Å | 1.47Å | |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.49Å | |
| C21 | O21 | doub | 1.22Å | 1.22Å | |
| C72 | C71 | sing | 1.47Å | 1.49Å | |
| C72 | N71 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | O31 | doub | 1.22Å | 1.23Å | |
| C22 | N21 | sing | 1.38Å | 1.40Å | Aromatic |
| C75 | N71 | sing | 1.36Å | 1.38Å | Aromatic |
| C71 | O71 | doub | 1.22Å | 1.22Å | |
| N61 | C65 | sing | 1.36Å | 1.39Å | Aromatic |
| N61 | CM6 | sing | 1.47Å | 1.47Å | |
| N71 | CM7 | sing | 1.46Å | 1.47Å | |
| C25 | N21 | sing | 1.36Å | 1.39Å | Aromatic |
| N21 | CM2 | sing | 1.46Å | 1.47Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | 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 | |
| N01 | HN01 | sing | 1.01Å | 1.00Å | |
| C01 | H004 | sing | 1.09Å | 1.10Å | |
| C01 | H005 | sing | 1.09Å | 1.10Å | |
| C01 | H006 | sing | 1.09Å | 1.10Å | |
| C02 | H001 | sing | 1.09Å | 1.10Å | |
| C02 | H002 | sing | 1.09Å | 1.10Å | |
| C02 | H003 | 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 | H112 | sing | 1.09Å | 1.10Å | |
| CM1 | H111 | sing | 1.09Å | 1.10Å | |
| CM1 | H113 | 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 | |
| N52 | HN5 | sing | 0.97Å | 1.00Å | |
| CM3 | H332 | sing | 1.09Å | 1.10Å | |
| CM3 | H331 | sing | 1.09Å | 1.10Å | |
| CM3 | H333 | 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 | H443 | sing | 1.09Å | 1.10Å | |
| CM4 | H442 | sing | 1.09Å | 1.10Å | |
| CM4 | H441 | 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 | H553 | sing | 1.09Å | 1.10Å | |
| CM5 | H551 | sing | 1.09Å | 1.10Å | |
| CM5 | H552 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| CM6 | H663 | sing | 1.09Å | 1.10Å | |
| CM6 | H661 | sing | 1.09Å | 1.10Å | |
| CM6 | H662 | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.08Å | 1.08Å | |
| CM7 | H771 | sing | 1.09Å | 1.10Å | |
| CM7 | H773 | sing | 1.09Å | 1.10Å | |
| CM7 | H772 | sing | 1.09Å | 1.10Å | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | 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 | |
| C73 | H73 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| CM8 | H883 | sing | 1.09Å | 1.10Å | |
| CM8 | H881 | sing | 1.09Å | 1.10Å | |
| CM8 | H882 | sing | 1.09Å | 1.10Å | |
| C83 | H83 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N01 | C03 | 109.6° | 109.5° |
| C01 | N01 | C02 | 108.8° | 109.5° |
| C01 | N01 | HN01 | 109.3° | 109.5° |
| N01 | C01 | H004 | 109.5° | 109.5° |
| N01 | C01 | H005 | 109.5° | 109.5° |
| N01 | C01 | H006 | 109.5° | 109.5° |
| C03 | N01 | C02 | 110.6° | 109.5° |
| N01 | C03 | C04 | 112.5° | 109.5° |
| N01 | C03 | H031 | 108.7° | 109.4° |
| N01 | C03 | H032 | 108.7° | 109.5° |
| C03 | N01 | HN01 | 109.3° | 109.5° |
| C02 | N01 | HN01 | 109.3° | 109.4° |
| N01 | C02 | H001 | 109.5° | 109.5° |
| N01 | C02 | H002 | 109.5° | 109.5° |
| N01 | C02 | H003 | 109.5° | 109.4° |
| C03 | C04 | C05 | 112.8° | 109.5° |
| C04 | C03 | H031 | 108.7° | 109.5° |
| C04 | C03 | H032 | 108.7° | 109.5° |
| C03 | C04 | H042 | 108.6° | 109.5° |
| C03 | C04 | H041 | 108.6° | 109.5° |
| C04 | C05 | N02 | 109.3° | 109.5° |
| C05 | C04 | H042 | 108.6° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.5° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.5° |
| C05 | N02 | C06 | 124.9° | 120.0° |
| N02 | C05 | H052 | 109.5° | 109.4° |
| N02 | C05 | H051 | 109.5° | 109.4° |
| C05 | N02 | HN02 | 117.5° | 120.0° |
| N02 | C06 | O01 | 121.9° | 120.0° |
| N02 | C06 | C07 | 115.3° | 120.0° |
| C06 | N02 | HN02 | 117.6° | 120.0° |
| C93 | C92 | C91 | 112.0° | 109.5° |
| C92 | C93 | C94 | 115.3° | 109.5° |
| C93 | C92 | H921 | 108.8° | 109.5° |
| C93 | C92 | H922 | 108.8° | 109.4° |
| C92 | C93 | H932 | 108.0° | 109.5° |
| C92 | C93 | H931 | 108.0° | 109.4° |
| C92 | C91 | O91 | 120.9° | 120.0° |
| C92 | C91 | N43 | 115.6° | 120.0° |
| C91 | C92 | H921 | 108.8° | 109.5° |
| C91 | C92 | H922 | 108.8° | 109.5° |
| C93 | C94 | N91 | 115.8° | 109.5° |
| C94 | C93 | H932 | 108.0° | 109.5° |
| C94 | C93 | H931 | 108.0° | 109.5° |
| C93 | C94 | H942 | 107.9° | 109.5° |
| C93 | C94 | H943 | 107.9° | 109.4° |
| O01 | C06 | C07 | 122.7° | 120.0° |
| C06 | C07 | C08 | 111.0° | 109.5° |
| C06 | C07 | H072 | 109.1° | 109.5° |
| C06 | C07 | H071 | 109.1° | 109.5° |
| O91 | C91 | N43 | 123.4° | 120.0° |
| C91 | N43 | C43 | 128.4° | 120.0° |
| C91 | N43 | HN4 | 115.8° | 119.9° |
| C94 | N91 | C51 | 124.3° | 120.0° |
| C94 | N91 | HN9 | 117.9° | 120.0° |
| N91 | C94 | H942 | 107.9° | 109.5° |
| N91 | C94 | H943 | 107.9° | 109.5° |
| C07 | C08 | N03 | 112.1° | 109.5° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| C08 | C07 | H072 | 109.1° | 109.5° |
| C08 | C07 | H071 | 109.1° | 109.5° |
| N43 | C43 | C44 | 123.8° | 125.9° |
| N43 | C43 | N42 | 124.9° | 125.9° |
| C43 | N43 | HN4 | 115.8° | 120.0° |
| N91 | C51 | O51 | 121.3° | 120.0° |
| N91 | C51 | C52 | 113.2° | 120.0° |
| C51 | N91 | HN9 | 117.9° | 120.0° |
| C08 | N03 | C11 | 122.6° | 120.0° |
| C08 | N03 | HN03 | 118.7° | 120.1° |
| N03 | C08 | H081 | 108.8° | 109.5° |
| N03 | C08 | H082 | 108.8° | 109.4° |
| C44 | C43 | N42 | 111.2° | 108.2° |
| C43 | C44 | N41 | 106.5° | 107.0° |
| C43 | C44 | H44 | 126.7° | 126.5° |
| C43 | N42 | C42 | 104.7° | 109.2° |
| O51 | C51 | C52 | 125.6° | 120.0° |
| C44 | N41 | C42 | 106.0° | 107.1° |
| C44 | N41 | CM4 | 123.7° | 126.4° |
| N41 | C44 | H44 | 126.8° | 126.5° |
| C51 | C52 | C53 | 129.5° | 126.1° |
| C51 | C52 | N51 | 123.0° | 126.2° |
| N42 | C42 | N41 | 111.5° | 108.4° |
| N42 | C42 | C41 | 128.9° | 125.8° |
| N03 | C11 | O11 | 120.9° | 120.0° |
| N03 | C11 | C12 | 114.5° | 120.0° |
| C11 | N03 | HN03 | 118.7° | 120.0° |
| S81 | C83 | N81 | 116.4° | 110.5° |
| C83 | S81 | C84 | 87.0° | 91.1° |
| S81 | C83 | H83 | 121.8° | 124.7° |
| C83 | N81 | C82 | 111.1° | 115.8° |
| N81 | C83 | H83 | 121.8° | 124.7° |
| S81 | C84 | C82 | 113.0° | 108.8° |
| S81 | C84 | CM8 | 121.1° | 125.5° |
| C42 | N41 | CM4 | 130.3° | 126.4° |
| N41 | C42 | C41 | 119.6° | 125.8° |
| N41 | CM4 | H443 | 109.5° | 109.5° |
| N41 | CM4 | H442 | 109.4° | 109.5° |
| N41 | CM4 | H441 | 109.5° | 109.5° |
| C53 | C52 | N51 | 107.5° | 107.7° |
| C52 | C53 | C54 | 107.9° | 107.1° |
| C52 | C53 | H53 | 126.0° | 126.5° |
| C52 | N51 | CM5 | 127.7° | 125.6° |
| C52 | N51 | C55 | 108.8° | 108.7° |
| C42 | C41 | N32 | 116.2° | 120.0° |
| C42 | C41 | O41 | 122.6° | 120.0° |
| O11 | C11 | C12 | 124.6° | 120.0° |
| C11 | C12 | C13 | 129.5° | 126.1° |
| C11 | C12 | N11 | 122.6° | 126.2° |
| C53 | C54 | C55 | 108.4° | 107.7° |
| C53 | C54 | N52 | 123.9° | 126.1° |
| C54 | C53 | H53 | 126.0° | 126.4° |
| N81 | C82 | C84 | 112.4° | 113.7° |
| N81 | C82 | C81 | 124.2° | 123.1° |
| CM5 | N51 | C55 | 123.5° | 125.7° |
| N51 | CM5 | H553 | 109.5° | 109.5° |
| N51 | CM5 | H551 | 109.4° | 109.5° |
| N51 | CM5 | H552 | 109.5° | 109.5° |
| N51 | C55 | C54 | 107.3° | 108.8° |
| N51 | C55 | H55 | 126.3° | 125.6° |
| C82 | C84 | CM8 | 125.8° | 125.6° |
| C84 | C82 | C81 | 123.3° | 123.1° |
| C84 | CM8 | H883 | 109.5° | 109.5° |
| C84 | CM8 | H881 | 109.5° | 109.5° |
| C84 | CM8 | H882 | 109.5° | 109.5° |
| N32 | C41 | O41 | 121.3° | 120.0° |
| C41 | N32 | C34 | 126.2° | 120.0° |
| C41 | N32 | HN3 | 116.9° | 119.9° |
| N32 | C34 | C33 | 126.0° | 126.2° |
| N32 | C34 | C35 | 125.5° | 126.1° |
| C34 | N32 | HN3 | 116.9° | 120.1° |
| C13 | C12 | N11 | 107.6° | 107.7° |
| C12 | C13 | C14 | 107.6° | 107.1° |
| C12 | C13 | H13 | 126.2° | 126.5° |
| C12 | N11 | CM1 | 128.2° | 125.6° |
| C12 | N11 | C15 | 108.7° | 108.7° |
| C82 | C81 | N72 | 114.8° | 120.0° |
| C82 | C81 | O81 | 123.4° | 120.0° |
| C55 | C54 | N52 | 127.7° | 126.2° |
| C54 | C55 | H55 | 126.3° | 125.6° |
| C54 | N52 | C61 | 127.0° | 120.0° |
| C54 | N52 | HN5 | 116.5° | 120.0° |
| C13 | C14 | N12 | 124.1° | 126.1° |
| C13 | C14 | C15 | 108.7° | 107.7° |
| C14 | C13 | H13 | 126.2° | 126.5° |
| N52 | C61 | C62 | 115.9° | 120.0° |
| N52 | C61 | O61 | 121.0° | 120.0° |
| C61 | N52 | HN5 | 116.5° | 120.0° |
| C33 | C34 | C35 | 108.4° | 107.8° |
| C34 | C33 | C32 | 107.1° | 107.1° |
| C34 | C33 | H33 | 126.5° | 126.5° |
| C34 | C35 | N31 | 107.6° | 108.7° |
| C34 | C35 | H35 | 126.2° | 125.7° |
| C81 | N72 | C74 | 126.9° | 120.0° |
| N72 | C81 | O81 | 121.8° | 120.0° |
| C81 | N72 | HN7 | 116.6° | 120.0° |
| N72 | C74 | C73 | 125.5° | 126.1° |
| N72 | C74 | C75 | 125.9° | 126.1° |
| C74 | N72 | HN7 | 116.5° | 120.0° |
| C33 | C32 | N31 | 107.6° | 107.7° |
| C33 | C32 | C31 | 131.4° | 126.1° |
| C32 | C33 | H33 | 126.5° | 126.5° |
| CM1 | N11 | C15 | 123.1° | 125.6° |
| N11 | CM1 | H112 | 109.5° | 109.5° |
| N11 | CM1 | H111 | 109.5° | 109.5° |
| N11 | CM1 | H113 | 109.5° | 109.5° |
| N11 | C15 | C14 | 107.3° | 108.8° |
| N11 | C15 | H15 | 126.4° | 125.6° |
| N12 | C14 | C15 | 127.2° | 126.2° |
| C14 | N12 | C21 | 126.7° | 120.0° |
| C14 | N12 | HN1 | 116.6° | 120.0° |
| C14 | C15 | H15 | 126.3° | 125.6° |
| C62 | C63 | C64 | 107.5° | 107.1° |
| C63 | C62 | C61 | 131.8° | 126.2° |
| C63 | C62 | N61 | 107.1° | 107.7° |
| C62 | C63 | H63 | 126.3° | 126.4° |
| C63 | C64 | N62 | 126.5° | 126.1° |
| C63 | C64 | C65 | 108.5° | 107.8° |
| C64 | C63 | H63 | 126.2° | 126.5° |
| N12 | C21 | C22 | 115.3° | 120.0° |
| N12 | C21 | O21 | 121.7° | 119.9° |
| C21 | N12 | HN1 | 116.7° | 120.0° |
| C74 | C73 | C72 | 107.5° | 107.1° |
| C73 | C74 | C75 | 108.6° | 107.8° |
| C74 | C73 | H73 | 126.3° | 126.4° |
| C73 | C72 | C71 | 131.4° | 126.1° |
| C73 | C72 | N71 | 107.3° | 107.7° |
| C72 | C73 | H73 | 126.3° | 126.5° |
| C62 | C61 | O61 | 123.0° | 120.0° |
| C61 | C62 | N61 | 121.1° | 126.2° |
| C74 | C75 | N71 | 107.6° | 108.8° |
| C74 | C75 | H75 | 126.2° | 125.7° |
| C35 | N31 | C32 | 109.0° | 108.7° |
| C35 | N31 | CM3 | 122.5° | 125.6° |
| N31 | C35 | H35 | 126.2° | 125.6° |
| C24 | C23 | C22 | 107.5° | 107.1° |
| C23 | C24 | N22 | 125.6° | 126.1° |
| C23 | C24 | C25 | 108.4° | 107.7° |
| C24 | C23 | H23 | 126.3° | 126.4° |
| C23 | C22 | C21 | 131.0° | 126.2° |
| C23 | C22 | N21 | 107.5° | 107.7° |
| C22 | C23 | H23 | 126.2° | 126.5° |
| N31 | C32 | C31 | 120.8° | 126.2° |
| C32 | N31 | CM3 | 128.4° | 125.7° |
| C32 | C31 | N22 | 116.8° | 120.0° |
| C32 | C31 | O31 | 121.9° | 120.0° |
| C24 | N22 | C31 | 125.1° | 120.0° |
| N22 | C24 | C25 | 125.9° | 126.2° |
| C24 | N22 | HN2 | 117.4° | 120.0° |
| N22 | C31 | O31 | 121.4° | 120.0° |
| C31 | N22 | HN2 | 117.5° | 120.0° |
| C62 | N61 | C65 | 109.0° | 108.7° |
| C62 | N61 | CM6 | 128.4° | 125.6° |
| C64 | N62 | C71 | 124.5° | 120.0° |
| N62 | C64 | C65 | 125.0° | 126.1° |
| C64 | N62 | HN6 | 117.7° | 120.0° |
| N62 | C71 | C72 | 116.9° | 120.0° |
| N62 | C71 | O71 | 121.1° | 120.0° |
| C71 | N62 | HN6 | 117.8° | 120.0° |
| C64 | C65 | N61 | 107.6° | 108.8° |
| C64 | C65 | H65 | 126.2° | 125.6° |
| N31 | CM3 | H332 | 109.5° | 109.5° |
| N31 | CM3 | H331 | 109.5° | 109.5° |
| N31 | CM3 | H333 | 109.5° | 109.4° |
| C24 | C25 | N21 | 107.7° | 108.8° |
| C24 | C25 | H25 | 126.2° | 125.6° |
| C22 | C21 | O21 | 123.1° | 120.1° |
| C21 | C22 | N21 | 121.5° | 126.1° |
| C71 | C72 | N71 | 121.2° | 126.2° |
| C72 | C71 | O71 | 122.1° | 120.0° |
| C72 | N71 | C75 | 109.1° | 108.7° |
| C72 | N71 | CM7 | 128.7° | 125.7° |
| C22 | N21 | C25 | 108.9° | 108.7° |
| C22 | N21 | CM2 | 128.3° | 125.7° |
| C75 | N71 | CM7 | 122.2° | 125.7° |
| N71 | C75 | H75 | 126.2° | 125.6° |
| C65 | N61 | CM6 | 122.5° | 125.6° |
| N61 | C65 | H65 | 126.2° | 125.6° |
| N61 | CM6 | H663 | 109.5° | 109.4° |
| N61 | CM6 | H661 | 109.5° | 109.5° |
| N61 | CM6 | H662 | 109.5° | 109.5° |
| N71 | CM7 | H771 | 109.5° | 109.5° |
| N71 | CM7 | H773 | 109.5° | 109.5° |
| N71 | CM7 | H772 | 109.5° | 109.5° |
| C25 | N21 | CM2 | 122.7° | 125.7° |
| N21 | C25 | H25 | 126.1° | 125.6° |
| N21 | CM2 | H223 | 109.5° | 109.5° |
| N21 | CM2 | H222 | 109.5° | 109.5° |
| N21 | CM2 | H221 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.4° | 109.5° |
| H004 | C01 | H005 | 109.4° | 109.5° |
| H004 | C01 | H006 | 109.5° | 109.4° |
| H005 | C01 | H006 | 109.4° | 109.5° |
| H001 | C02 | H002 | 109.4° | 109.5° |
| H001 | C02 | H003 | 109.4° | 109.5° |
| H002 | C02 | H003 | 109.5° | 109.4° |
| H112 | CM1 | H111 | 109.5° | 109.5° |
| H112 | CM1 | H113 | 109.5° | 109.4° |
| H111 | CM1 | H113 | 109.5° | 109.4° |
| H223 | CM2 | H222 | 109.5° | 109.5° |
| H223 | CM2 | H221 | 109.5° | 109.5° |
| H222 | CM2 | H221 | 109.4° | 109.5° |
| H332 | CM3 | H331 | 109.5° | 109.5° |
| H332 | CM3 | H333 | 109.5° | 109.4° |
| H331 | CM3 | H333 | 109.5° | 109.4° |
| H443 | CM4 | H442 | 109.5° | 109.5° |
| H443 | CM4 | H441 | 109.5° | 109.5° |
| H442 | CM4 | H441 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H553 | CM5 | H551 | 109.5° | 109.5° |
| H553 | CM5 | H552 | 109.4° | 109.4° |
| H551 | CM5 | H552 | 109.5° | 109.5° |
| H663 | CM6 | H661 | 109.5° | 109.4° |
| H663 | CM6 | H662 | 109.4° | 109.5° |
| H661 | CM6 | H662 | 109.5° | 109.5° |
| H771 | CM7 | H773 | 109.5° | 109.5° |
| H771 | CM7 | H772 | 109.4° | 109.4° |
| H773 | CM7 | H772 | 109.5° | 109.4° |
| H921 | C92 | H922 | 109.5° | 109.4° |
| H932 | C93 | H931 | 109.5° | 109.4° |
| H942 | C94 | H943 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H883 | CM8 | H881 | 109.5° | 109.5° |
| H883 | CM8 | H882 | 109.4° | 109.4° |
| H881 | CM8 | H882 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N01 | C03 | C02 | 120.0° | 120.0° |
| C01 | N01 | C03 | HN01 | 119.7° | 120.0° |
| C01 | N01 | C02 | HN01 | 119.2° | 120.0° |
| C01 | N01 | C03 | C04 | 165.0° | 65.0° |
| C01 | N01 | C03 | H031 | 44.6° | 55.0° |
| C01 | N01 | C03 | H032 | 74.5° | 175.0° |
| N01 | C01 | H004 | H005 | 120.0° | 120.1° |
| N01 | C01 | H004 | H006 | 120.1° | 120.0° |
| N01 | C01 | H005 | H006 | 120.0° | 120.0° |
| C01 | N01 | C02 | H001 | 180.0° | 180.0° |
| C01 | N01 | C02 | H002 | 60.0° | 60.0° |
| C01 | N01 | C02 | H003 | 60.0° | 60.0° |
| C03 | N01 | C02 | HN01 | 120.4° | 120.0° |
| N01 | C03 | C04 | H031 | 120.5° | 119.9° |
| N01 | C03 | C04 | H032 | 120.4° | 120.0° |
| N01 | C03 | C04 | C05 | 178.1° | 180.0° |
| N01 | C03 | H031 | H032 | 118.6° | 120.0° |
| N01 | C03 | C04 | H042 | 61.4° | 59.9° |
| N01 | C03 | C04 | H041 | 57.6° | 60.0° |
| C03 | N01 | C01 | H004 | 180.0° | 180.0° |
| C03 | N01 | C01 | H005 | 60.0° | 60.0° |
| C03 | N01 | C01 | H006 | 60.0° | 60.0° |
| C03 | N01 | C02 | H001 | 59.6° | 60.0° |
| C03 | N01 | C02 | H002 | 60.4° | 180.0° |
| C03 | N01 | C02 | H003 | 179.6° | 60.1° |
| C02 | N01 | C03 | C04 | 75.0° | 175.0° |
| C02 | N01 | C03 | H031 | 164.5° | 65.0° |
| C02 | N01 | C03 | H032 | 45.4° | 55.0° |
| C02 | N01 | C01 | H004 | 58.9° | 60.0° |
| C02 | N01 | C01 | H005 | 61.1° | 180.0° |
| C02 | N01 | C01 | H006 | 179.0° | 60.0° |
| N01 | C02 | H001 | H002 | 120.0° | 120.0° |
| N01 | C02 | H001 | H003 | 120.0° | 120.0° |
| N01 | C02 | H002 | H003 | 120.0° | 119.9° |
| C03 | C04 | C05 | H042 | 120.5° | 120.1° |
| C03 | C04 | C05 | H041 | 120.5° | 120.0° |
| C03 | C04 | C05 | N02 | 170.1° | 180.0° |
| C04 | C03 | H031 | H032 | 118.6° | 120.1° |
| C03 | C04 | H042 | H041 | 118.5° | 120.0° |
| C03 | C04 | C05 | H052 | 50.1° | 60.0° |
| C03 | C04 | C05 | H051 | 69.9° | 60.1° |
| C04 | C03 | N01 | HN01 | 45.3° | 55.1° |
| C04 | C05 | N02 | H052 | 120.0° | 120.0° |
| C04 | C05 | N02 | H051 | 120.0° | 120.0° |
| C04 | C05 | N02 | C06 | 99.4° | 180.0° |
| C05 | C04 | C03 | H031 | 57.6° | 60.1° |
| C05 | C04 | C03 | H032 | 61.5° | 60.0° |
| C05 | C04 | H042 | H041 | 118.5° | 120.0° |
| C04 | C05 | H052 | H051 | 120.1° | 120.0° |
| C04 | C05 | N02 | HN02 | 80.6° | 0.0° |
| C05 | N02 | C06 | HN02 | 180.0° | 180.0° |
| C05 | N02 | C06 | O01 | 8.0° | 0.1° |
| C05 | N02 | C06 | C07 | 170.5° | 180.0° |
| N02 | C05 | C04 | H042 | 69.4° | 60.0° |
| N02 | C05 | C04 | H041 | 49.6° | 60.0° |
| N02 | C05 | H052 | H051 | 120.1° | 119.9° |
| N02 | C06 | O01 | C07 | 178.4° | 179.9° |
| N02 | C06 | C07 | C08 | 107.0° | 180.0° |
| C06 | N02 | C05 | H052 | 140.6° | 60.0° |
| C06 | N02 | C05 | H051 | 20.6° | 60.0° |
| N02 | C06 | C07 | H072 | 13.3° | 59.9° |
| N02 | C06 | C07 | H071 | 132.8° | 60.0° |
| C93 | C92 | C91 | H921 | 120.4° | 120.1° |
| C93 | C92 | C91 | H922 | 120.4° | 120.0° |
| C92 | C93 | C94 | H932 | 120.8° | 120.0° |
| C92 | C93 | C94 | H931 | 120.9° | 120.0° |
| C93 | C92 | C91 | O91 | 61.4° | 0.1° |
| C93 | C92 | C91 | N43 | 116.8° | 180.0° |
| C92 | C93 | C94 | N91 | 45.1° | 180.0° |
| C93 | C92 | H921 | H922 | 118.8° | 119.9° |
| C92 | C93 | H932 | H931 | 117.4° | 119.9° |
| C92 | C93 | C94 | H942 | 166.1° | 60.0° |
| C92 | C93 | C94 | H943 | 75.8° | 60.0° |
| C91 | C92 | C93 | C94 | 83.5° | 180.0° |
| C92 | C91 | O91 | N43 | 178.0° | 179.9° |
| C92 | C91 | N43 | C43 | 161.0° | 180.0° |
| C92 | C91 | N43 | HN4 | 19.0° | 0.0° |
| C91 | C92 | H921 | H922 | 118.8° | 120.0° |
| C91 | C92 | C93 | H932 | 37.3° | 59.9° |
| C91 | C92 | C93 | H931 | 155.6° | 60.0° |
| C93 | C94 | N91 | H942 | 120.9° | 120.0° |
| C93 | C94 | N91 | H943 | 120.9° | 119.9° |
| C93 | C94 | N91 | C51 | 79.2° | 180.0° |
| C93 | C94 | N91 | HN9 | 100.8° | 0.0° |
| C94 | C93 | C92 | H921 | 36.8° | 60.0° |
| C94 | C93 | C92 | H922 | 156.1° | 60.0° |
| C94 | C93 | H932 | H931 | 117.3° | 120.0° |
| C93 | C94 | H942 | H943 | 117.1° | 120.0° |
| O01 | C06 | C07 | C08 | 71.5° | 0.1° |
| O01 | C06 | N02 | HN02 | 172.0° | 180.0° |
| O01 | C06 | C07 | H072 | 168.2° | 120.0° |
| O01 | C06 | C07 | H071 | 48.7° | 120.1° |
| C06 | C07 | C08 | H072 | 120.2° | 120.0° |
| C06 | C07 | C08 | H071 | 120.2° | 120.0° |
| C06 | C07 | C08 | N03 | 170.5° | 180.0° |
| C07 | C06 | N02 | HN02 | 9.5° | 0.0° |
| C06 | C07 | C08 | H081 | 50.2° | 60.0° |
| C06 | C07 | C08 | H082 | 69.1° | 60.1° |
| C06 | C07 | H072 | H071 | 119.3° | 120.0° |
| O91 | C91 | N43 | C43 | 17.1° | 0.1° |
| O91 | C91 | N43 | HN4 | 162.9° | 180.0° |
| O91 | C91 | C92 | H921 | 178.3° | 120.0° |
| O91 | C91 | C92 | H922 | 59.0° | 120.0° |
| C91 | N43 | C43 | HN4 | 180.0° | 179.9° |
| C91 | N43 | C43 | C44 | 0.1° | 0.1° |
| C91 | N43 | C43 | N42 | 175.4° | 179.7° |
| N43 | C91 | C92 | H921 | 3.6° | 59.9° |
| N43 | C91 | C92 | H922 | 122.8° | 60.0° |
| C94 | N91 | C51 | HN9 | 180.0° | 179.9° |
| C94 | N91 | C51 | O51 | 7.0° | 5.0° |
| C94 | N91 | C51 | C52 | 173.9° | 175.0° |
| N91 | C94 | C93 | H932 | 75.7° | 60.0° |
| N91 | C94 | C93 | H931 | 166.0° | 60.0° |
| N91 | C94 | H942 | H943 | 117.1° | 120.0° |
| C07 | C08 | N03 | H081 | 120.4° | 120.0° |
| C07 | C08 | N03 | H082 | 120.4° | 120.0° |
| C07 | C08 | N03 | C11 | 87.9° | 180.0° |
| C07 | C08 | N03 | HN03 | 92.1° | 0.0° |
| C07 | C08 | H081 | H082 | 118.8° | 120.0° |
| C08 | C07 | H072 | H071 | 119.3° | 120.0° |
| N43 | C43 | C44 | N42 | 176.0° | 179.7° |
| N43 | C43 | C44 | N41 | 175.6° | 180.0° |
| N43 | C43 | N42 | C42 | 175.4° | 179.9° |
| N43 | C43 | C44 | H44 | 4.4° | 0.3° |
| N91 | C51 | O51 | C52 | 178.9° | 180.0° |
| N91 | C51 | C52 | C53 | 2.8° | 5.0° |
| N91 | C51 | C52 | N51 | 175.5° | 175.0° |
| C51 | N91 | C94 | H942 | 41.8° | 60.0° |
| C51 | N91 | C94 | H943 | 159.9° | 60.0° |
| C08 | N03 | C11 | HN03 | 180.0° | 180.0° |
| C08 | N03 | C11 | O11 | 4.8° | 5.1° |
| C08 | N03 | C11 | C12 | 178.9° | 175.0° |
| N03 | C08 | H081 | H082 | 118.8° | 120.0° |
| N03 | C08 | C07 | H072 | 69.2° | 60.0° |
| N03 | C08 | C07 | H071 | 50.3° | 60.0° |
| C43 | C44 | N41 | H44 | 180.0° | 179.7° |
| C44 | C43 | N42 | C42 | 0.6° | 0.4° |
| C43 | C44 | N41 | C42 | 0.1° | 0.0° |
| C43 | C44 | N41 | CM4 | 177.6° | 179.7° |
| C44 | C43 | N43 | HN4 | 179.9° | 180.0° |
| N42 | C43 | C44 | N41 | 0.4° | 0.3° |
| C43 | N42 | C42 | N41 | 0.5° | 0.4° |
| C43 | N42 | C42 | C41 | 178.9° | 179.6° |
| N42 | C43 | N43 | HN4 | 4.6° | 0.3° |
| N42 | C43 | C44 | H44 | 179.6° | 180.0° |
| O51 | C51 | C52 | C53 | 178.2° | 175.0° |
| O51 | C51 | C52 | N51 | 3.5° | 5.0° |
| O51 | C51 | N91 | HN9 | 173.0° | 175.0° |
| C44 | N41 | C42 | N42 | 0.3° | 0.2° |
| C44 | N41 | C42 | CM4 | 177.3° | 179.8° |
| C44 | N41 | C42 | C41 | 179.2° | 179.8° |
| C44 | N41 | CM4 | H443 | 180.0° | 90.3° |
| C44 | N41 | CM4 | H442 | 60.0° | 29.7° |
| C44 | N41 | CM4 | H441 | 60.0° | 149.6° |
| C51 | C52 | C53 | N51 | 178.4° | 180.0° |
| C51 | C52 | C53 | C54 | 177.0° | 179.8° |
| C51 | C52 | N51 | CM5 | 2.4° | 0.0° |
| C51 | C52 | N51 | C55 | 176.5° | 179.7° |
| C52 | C51 | N91 | HN9 | 6.1° | 5.0° |
| C51 | C52 | C53 | H53 | 3.0° | 0.2° |
| N42 | C42 | N41 | C41 | 179.5° | 180.0° |
| N42 | C42 | N41 | CM4 | 177.0° | 180.0° |
| N42 | C42 | C41 | N32 | 9.6° | 0.0° |
| N42 | C42 | C41 | O41 | 169.4° | 180.0° |
| N03 | C11 | O11 | C12 | 175.9° | 179.9° |
| N03 | C11 | C12 | C13 | 6.4° | 5.1° |
| N03 | C11 | C12 | N11 | 179.3° | 175.1° |
| C11 | N03 | C08 | H081 | 32.5° | 60.0° |
| C11 | N03 | C08 | H082 | 151.7° | 60.0° |
| S81 | C83 | N81 | H83 | 180.0° | 179.8° |
| S81 | C83 | N81 | C82 | 1.1° | 0.4° |
| C83 | S81 | C84 | C82 | 2.7° | 0.1° |
| C83 | S81 | C84 | CM8 | 179.9° | 180.0° |
| N81 | C83 | S81 | C84 | 2.2° | 0.3° |
| C83 | N81 | C82 | C84 | 1.1° | 0.4° |
| C83 | N81 | C82 | C81 | 177.9° | 179.8° |
| S81 | C84 | C82 | N81 | 2.8° | 0.2° |
| S81 | C84 | C82 | CM8 | 177.2° | 179.9° |
| S81 | C84 | C82 | C81 | 176.2° | 180.0° |
| S81 | C84 | CM8 | H883 | 0.0° | 90.0° |
| S81 | C84 | CM8 | H881 | 120.0° | 30.1° |
| S81 | C84 | CM8 | H882 | 120.0° | 150.1° |
| C84 | S81 | C83 | H83 | 177.8° | 180.0° |
| N41 | C42 | C41 | N32 | 171.0° | 180.0° |
| N41 | C42 | C41 | O41 | 9.9° | 0.0° |
| C42 | N41 | C44 | H44 | 179.9° | 179.8° |
| C42 | N41 | CM4 | H443 | 3.1° | 90.0° |
| C42 | N41 | CM4 | H442 | 116.9° | 150.0° |
| C42 | N41 | CM4 | H441 | 123.1° | 30.1° |
| CM4 | N41 | C42 | C41 | 3.5° | 0.0° |
| CM4 | N41 | C44 | H44 | 2.4° | 0.0° |
| N41 | CM4 | H443 | H442 | 120.0° | 120.0° |
| N41 | CM4 | H443 | H441 | 120.0° | 120.1° |
| N41 | CM4 | H442 | H441 | 120.0° | 120.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C53 | C52 | N51 | CM5 | 179.0° | 180.0° |
| C53 | C52 | N51 | C55 | 2.1° | 0.3° |
| C52 | C53 | C54 | C55 | 0.4° | 0.0° |
| C52 | C53 | C54 | N52 | 179.9° | 179.9° |
| N51 | C52 | C53 | C54 | 1.5° | 0.2° |
| C52 | N51 | CM5 | C55 | 178.8° | 179.7° |
| C52 | N51 | C55 | C54 | 1.8° | 0.3° |
| N51 | C52 | C53 | H53 | 178.5° | 179.8° |
| C52 | N51 | C55 | H55 | 178.1° | 179.7° |
| C52 | N51 | CM5 | H553 | 180.0° | 84.6° |
| C52 | N51 | CM5 | H551 | 60.0° | 35.5° |
| C52 | N51 | CM5 | H552 | 60.0° | 155.5° |
| C42 | C41 | N32 | O41 | 179.1° | 180.0° |
| C42 | C41 | N32 | C34 | 177.2° | 180.0° |
| C42 | C41 | N32 | HN3 | 2.8° | 0.0° |
| O11 | C11 | C12 | C13 | 169.7° | 174.9° |
| O11 | C11 | C12 | N11 | 3.2° | 4.8° |
| O11 | C11 | N03 | HN03 | 175.2° | 175.0° |
| C11 | C12 | C13 | N11 | 173.7° | 179.8° |
| C11 | C12 | C13 | C14 | 168.8° | 180.0° |
| C11 | C12 | N11 | CM1 | 8.4° | 0.0° |
| C11 | C12 | N11 | C15 | 170.4° | 179.9° |
| C12 | C11 | N03 | HN03 | 1.1° | 5.0° |
| C11 | C12 | C13 | H13 | 11.2° | 0.0° |
| C53 | C54 | C55 | N51 | 0.9° | 0.1° |
| C53 | C54 | C55 | N52 | 179.7° | 179.9° |
| C53 | C54 | N52 | C61 | 174.9° | 0.2° |
| C53 | C54 | N52 | HN5 | 5.2° | 179.8° |
| C53 | C54 | C55 | H55 | 179.1° | 179.8° |
| N81 | C82 | C84 | C81 | 179.0° | 179.8° |
| N81 | C82 | C84 | CM8 | 180.0° | 179.8° |
| N81 | C82 | C81 | N72 | 7.4° | 0.2° |
| N81 | C82 | C81 | O81 | 174.6° | 179.8° |
| C82 | N81 | C83 | H83 | 178.9° | 179.8° |
| CM5 | N51 | C55 | C54 | 179.2° | 180.0° |
| CM5 | N51 | C55 | H55 | 0.8° | 0.0° |
| N51 | CM5 | H553 | H551 | 120.0° | 120.1° |
| N51 | CM5 | H553 | H552 | 120.0° | 120.0° |
| N51 | CM5 | H551 | H552 | 120.0° | 120.0° |
| N51 | C55 | C54 | H55 | 180.0° | 180.0° |
| N51 | C55 | C54 | N52 | 178.8° | 180.0° |
| C55 | N51 | CM5 | H553 | 1.3° | 95.1° |
| C55 | N51 | CM5 | H551 | 118.8° | 144.8° |
| C55 | N51 | CM5 | H552 | 121.2° | 24.8° |
| C84 | C82 | C81 | N72 | 171.5° | 180.0° |
| C84 | C82 | C81 | O81 | 6.5° | 0.0° |
| C82 | C84 | CM8 | H883 | 177.0° | 89.9° |
| C82 | C84 | CM8 | H881 | 63.0° | 150.0° |
| C82 | C84 | CM8 | H882 | 57.0° | 30.0° |
| CM8 | C84 | C82 | C81 | 1.0° | 0.1° |
| C84 | CM8 | H883 | H881 | 120.0° | 120.1° |
| C84 | CM8 | H883 | H882 | 120.0° | 120.0° |
| C84 | CM8 | H881 | H882 | 120.0° | 120.0° |
| C41 | N32 | C34 | HN3 | 180.0° | 180.0° |
| C41 | N32 | C34 | C33 | 167.3° | 0.0° |
| C41 | N32 | C34 | C35 | 10.3° | 180.0° |
| O41 | C41 | N32 | C34 | 3.7° | 0.0° |
| O41 | C41 | N32 | HN3 | 176.3° | 180.0° |
| N32 | C34 | C33 | C35 | 178.0° | 180.0° |
| N32 | C34 | C33 | C32 | 173.0° | 180.0° |
| N32 | C34 | C35 | N31 | 174.4° | 180.0° |
| N32 | C34 | C33 | H33 | 7.1° | 0.0° |
| N32 | C34 | C35 | H35 | 5.6° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | N11 | CM1 | 177.3° | 179.8° |
| C13 | C12 | N11 | C15 | 3.8° | 0.1° |
| C12 | C13 | C14 | N12 | 173.4° | 180.0° |
| C12 | C13 | C14 | C15 | 4.3° | 0.2° |
| N11 | C12 | C13 | C14 | 4.9° | 0.2° |
| C12 | N11 | CM1 | C15 | 178.7° | 179.9° |
| C12 | N11 | C15 | C14 | 1.2° | 0.1° |
| N11 | C12 | C13 | H13 | 175.1° | 179.8° |
| C12 | N11 | C15 | H15 | 178.8° | 179.9° |
| C12 | N11 | CM1 | H112 | 180.0° | 84.7° |
| C12 | N11 | CM1 | H111 | 60.0° | 35.3° |
| C12 | N11 | CM1 | H113 | 60.0° | 155.3° |
| C82 | C81 | N72 | O81 | 178.1° | 180.0° |
| C82 | C81 | N72 | C74 | 178.9° | 180.0° |
| C82 | C81 | N72 | HN7 | 1.1° | 0.0° |
| C55 | C54 | N52 | C61 | 4.8° | 180.0° |
| C55 | C54 | N52 | HN5 | 175.2° | 0.0° |
| C55 | C54 | C53 | H53 | 179.6° | 180.0° |
| C54 | N52 | C61 | HN5 | 180.0° | 180.0° |
| C54 | N52 | C61 | C62 | 179.1° | 174.7° |
| C54 | N52 | C61 | O61 | 2.9° | 5.3° |
| N52 | C54 | C53 | H53 | 0.1° | 0.2° |
| N52 | C54 | C55 | H55 | 1.2° | 0.1° |
| C13 | C14 | C15 | N11 | 1.9° | 0.2° |
| C13 | C14 | N12 | C15 | 177.2° | 179.7° |
| C13 | C14 | N12 | C21 | 175.1° | 0.3° |
| C13 | C14 | N12 | HN1 | 4.9° | 179.7° |
| C13 | C14 | C15 | H15 | 178.1° | 179.8° |
| N52 | C61 | C62 | C63 | 2.6° | 5.1° |
| N52 | C61 | C62 | O61 | 178.0° | 180.0° |
| N52 | C61 | C62 | N61 | 177.4° | 174.9° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C33 | C34 | C35 | N31 | 3.6° | 0.0° |
| C34 | C33 | C32 | N31 | 4.5° | 0.0° |
| C34 | C33 | C32 | C31 | 170.1° | 179.7° |
| C33 | C34 | C35 | H35 | 176.4° | 180.0° |
| C33 | C34 | N32 | HN3 | 12.7° | 180.0° |
| C35 | C34 | C33 | C32 | 5.0° | 0.0° |
| C34 | C35 | N31 | H35 | 180.0° | 180.0° |
| C34 | C35 | N31 | C32 | 0.8° | 0.0° |
| C34 | C35 | N31 | CM3 | 179.6° | 179.8° |
| C35 | C34 | C33 | H33 | 175.0° | 179.9° |
| C35 | C34 | N32 | HN3 | 169.7° | 0.0° |
| C81 | N72 | C74 | HN7 | 180.0° | 180.0° |
| C81 | N72 | C74 | C73 | 176.6° | 0.2° |
| C81 | N72 | C74 | C75 | 4.2° | 180.0° |
| C74 | N72 | C81 | O81 | 3.1° | 0.0° |
| N72 | C74 | C73 | C75 | 179.3° | 179.9° |
| N72 | C74 | C73 | C72 | 179.7° | 179.9° |
| N72 | C74 | C75 | N71 | 179.5° | 180.0° |
| N72 | C74 | C75 | H75 | 0.5° | 0.1° |
| N72 | C74 | C73 | H73 | 0.3° | 0.2° |
| C33 | C32 | N31 | C35 | 2.4° | 0.0° |
| C33 | C32 | N31 | C31 | 175.2° | 179.8° |
| C33 | C32 | C31 | N22 | 21.3° | 5.5° |
| C33 | C32 | N31 | CM3 | 176.4° | 179.8° |
| C33 | C32 | C31 | O31 | 159.6° | 174.8° |
| CM1 | N11 | C15 | C14 | 179.9° | 180.0° |
| CM1 | N11 | C15 | H15 | 0.1° | 0.0° |
| N11 | CM1 | H112 | H111 | 120.0° | 120.0° |
| N11 | CM1 | H112 | H113 | 120.0° | 120.0° |
| N11 | CM1 | H111 | H113 | 120.0° | 120.0° |
| N11 | C15 | C14 | N12 | 175.7° | 180.0° |
| N11 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | N11 | CM1 | H112 | 1.3° | 95.1° |
| C15 | N11 | CM1 | H111 | 118.7° | 144.8° |
| C15 | N11 | CM1 | H113 | 121.3° | 24.8° |
| O81 | C81 | N72 | HN7 | 176.9° | 180.0° |
| C14 | N12 | C21 | HN1 | 180.0° | 180.0° |
| C14 | N12 | C21 | C22 | 176.0° | 174.7° |
| C14 | N12 | C21 | O21 | 4.8° | 5.3° |
| N12 | C14 | C13 | H13 | 6.6° | 0.0° |
| N12 | C14 | C15 | H15 | 4.3° | 0.0° |
| C15 | C14 | N12 | C21 | 7.7° | 180.0° |
| C15 | C14 | C13 | H13 | 175.7° | 179.8° |
| C15 | C14 | N12 | HN1 | 172.3° | 0.1° |
| C62 | C63 | C64 | H63 | 180.0° | 179.8° |
| C63 | C62 | C61 | N61 | 180.0° | 180.0° |
| C63 | C62 | C61 | O61 | 179.4° | 174.9° |
| C62 | C63 | C64 | N62 | 176.6° | 180.0° |
| C62 | C63 | C64 | C65 | 2.7° | 0.4° |
| C63 | C62 | N61 | C65 | 5.6° | 0.0° |
| C63 | C62 | N61 | CM6 | 172.7° | 179.8° |
| C64 | C63 | C62 | C61 | 175.0° | 179.8° |
| C64 | C63 | C62 | N61 | 5.0° | 0.2° |
| C63 | C64 | N62 | C65 | 179.1° | 179.6° |
| C63 | C64 | N62 | C71 | 155.1° | 0.1° |
| C63 | C64 | C65 | N61 | 0.8° | 0.4° |
| C63 | C64 | N62 | HN6 | 24.9° | 180.0° |
| C63 | C64 | C65 | H65 | 179.2° | 179.6° |
| N12 | C21 | C22 | C23 | 8.5° | 5.1° |
| N12 | C21 | C22 | O21 | 179.2° | 180.0° |
| N12 | C21 | C22 | N21 | 172.1° | 174.8° |
| C74 | C73 | C72 | H73 | 180.0° | 179.9° |
| C74 | C73 | C72 | C71 | 178.0° | 179.8° |
| C74 | C73 | C72 | N71 | 1.3° | 0.1° |
| C73 | C74 | C75 | N71 | 0.2° | 0.1° |
| C73 | C74 | N72 | HN7 | 3.4° | 179.8° |
| C73 | C74 | C75 | H75 | 179.8° | 179.8° |
| C72 | C73 | C74 | C75 | 1.0° | 0.0° |
| C73 | C72 | C71 | N62 | 12.9° | 5.2° |
| C73 | C72 | C71 | N71 | 176.3° | 180.0° |
| C73 | C72 | N71 | C75 | 1.2° | 0.2° |
| C73 | C72 | C71 | O71 | 168.3° | 174.8° |
| C73 | C72 | N71 | CM7 | 179.7° | 180.0° |
| C61 | C62 | N61 | C65 | 174.4° | 180.0° |
| C61 | C62 | N61 | CM6 | 7.3° | 0.2° |
| C62 | C61 | N52 | HN5 | 0.9° | 5.3° |
| C61 | C62 | C63 | H63 | 4.9° | 0.0° |
| O61 | C61 | C62 | N61 | 0.6° | 5.0° |
| O61 | C61 | N52 | HN5 | 177.1° | 174.8° |
| C74 | C75 | N71 | C72 | 0.6° | 0.2° |
| C74 | C75 | N71 | H75 | 180.0° | 179.9° |
| C74 | C75 | N71 | CM7 | 179.2° | 180.0° |
| C75 | C74 | N72 | HN7 | 175.8° | 0.1° |
| C75 | C74 | C73 | H73 | 179.0° | 179.9° |
| C35 | N31 | C32 | CM3 | 178.7° | 179.8° |
| C35 | N31 | C32 | C31 | 172.9° | 179.8° |
| C35 | N31 | CM3 | H332 | 180.0° | 85.5° |
| C35 | N31 | CM3 | H331 | 60.0° | 34.6° |
| C35 | N31 | CM3 | H333 | 60.0° | 154.5° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C23 | C24 | N22 | C25 | 176.9° | 179.9° |
| C23 | C24 | N22 | C31 | 157.3° | 0.2° |
| C24 | C23 | C22 | C21 | 179.8° | 179.9° |
| C24 | C23 | C22 | N21 | 0.7° | 0.1° |
| C23 | C24 | C25 | N21 | 1.7° | 0.1° |
| C23 | C24 | N22 | HN2 | 22.7° | 179.8° |
| C23 | C24 | C25 | H25 | 178.3° | 179.8° |
| C22 | C23 | C24 | N22 | 175.8° | 179.9° |
| C22 | C23 | C24 | C25 | 1.5° | 0.0° |
| C23 | C22 | C21 | N21 | 179.4° | 180.0° |
| C23 | C22 | C21 | O21 | 172.3° | 174.9° |
| C23 | C22 | N21 | C25 | 0.3° | 0.2° |
| C23 | C22 | N21 | CM2 | 176.1° | 179.9° |
| N31 | C32 | C31 | N22 | 164.8° | 174.3° |
| N31 | C32 | C31 | O31 | 14.3° | 5.5° |
| N31 | C32 | C33 | H33 | 175.5° | 180.0° |
| C32 | N31 | C35 | H35 | 179.2° | 180.0° |
| C32 | N31 | CM3 | H332 | 1.4° | 94.7° |
| C32 | N31 | CM3 | H331 | 118.5° | 145.2° |
| C32 | N31 | CM3 | H333 | 121.4° | 25.3° |
| C32 | C31 | N22 | C24 | 177.0° | 174.5° |
| C32 | C31 | N22 | O31 | 179.1° | 179.8° |
| C31 | C32 | N31 | CM3 | 8.4° | 0.0° |
| C31 | C32 | C33 | H33 | 9.9° | 0.3° |
| C32 | C31 | N22 | HN2 | 3.0° | 5.5° |
| C24 | N22 | C31 | HN2 | 180.0° | 180.0° |
| C24 | N22 | C31 | O31 | 3.9° | 5.3° |
| N22 | C24 | C25 | N21 | 175.7° | 180.0° |
| N22 | C24 | C25 | H25 | 4.3° | 0.1° |
| N22 | C24 | C23 | H23 | 4.2° | 0.2° |
| C31 | N22 | C24 | C25 | 19.6° | 180.0° |
| C62 | N61 | C65 | C64 | 3.9° | 0.2° |
| C62 | N61 | C65 | CM6 | 178.4° | 179.8° |
| N61 | C62 | C63 | H63 | 175.1° | 180.0° |
| C62 | N61 | C65 | H65 | 176.1° | 179.8° |
| C62 | N61 | CM6 | H663 | 180.0° | 84.6° |
| C62 | N61 | CM6 | H661 | 60.0° | 35.3° |
| C62 | N61 | CM6 | H662 | 60.0° | 155.4° |
| C64 | N62 | C71 | HN6 | 180.0° | 180.0° |
| C64 | N62 | C71 | C72 | 172.0° | 174.7° |
| C64 | N62 | C71 | O71 | 9.2° | 5.3° |
| N62 | C64 | C65 | N61 | 179.9° | 180.0° |
| N62 | C64 | C63 | H63 | 3.4° | 0.2° |
| N62 | C64 | C65 | H65 | 0.0° | 0.0° |
| C71 | N62 | C64 | C65 | 24.0° | 179.5° |
| N62 | C71 | C72 | O71 | 178.9° | 180.0° |
| N62 | C71 | C72 | N71 | 170.8° | 174.9° |
| C64 | C65 | N61 | H65 | 180.0° | 180.0° |
| C64 | C65 | N61 | CM6 | 174.5° | 180.0° |
| C65 | C64 | N62 | HN6 | 156.0° | 0.4° |
| C65 | C64 | C63 | H63 | 177.4° | 179.8° |
| CM3 | N31 | C35 | H35 | 0.4° | 0.2° |
| N31 | CM3 | H332 | H331 | 120.0° | 120.1° |
| N31 | CM3 | H332 | H333 | 120.0° | 120.0° |
| N31 | CM3 | H331 | H333 | 120.0° | 119.9° |
| C24 | C25 | N21 | C22 | 1.2° | 0.2° |
| C24 | C25 | N21 | H25 | 180.0° | 179.9° |
| C24 | C25 | N21 | CM2 | 175.4° | 179.9° |
| C25 | C24 | N22 | HN2 | 160.4° | 0.1° |
| C25 | C24 | C23 | H23 | 178.5° | 180.0° |
| C21 | C22 | N21 | C25 | 179.3° | 179.8° |
| C21 | C22 | N21 | CM2 | 4.4° | 0.1° |
| C22 | C21 | N12 | HN1 | 4.0° | 5.3° |
| C21 | C22 | C23 | H23 | 0.2° | 0.1° |
| O21 | C21 | C22 | N21 | 7.1° | 5.2° |
| O21 | C21 | N12 | HN1 | 175.2° | 174.7° |
| C71 | C72 | N71 | C75 | 178.3° | 179.8° |
| C71 | C72 | N71 | CM7 | 3.2° | 0.0° |
| C72 | C71 | N62 | HN6 | 8.0° | 5.2° |
| C71 | C72 | C73 | H73 | 1.9° | 0.2° |
| C72 | N71 | C75 | CM7 | 178.6° | 179.8° |
| N71 | C72 | C71 | O71 | 8.0° | 5.1° |
| C72 | N71 | C75 | H75 | 179.3° | 179.7° |
| C72 | N71 | CM7 | H771 | 180.0° | 94.5° |
| C72 | N71 | CM7 | H773 | 60.0° | 25.5° |
| C72 | N71 | CM7 | H772 | 60.0° | 145.5° |
| N71 | C72 | C73 | H73 | 178.6° | 179.8° |
| O31 | C31 | N22 | HN2 | 176.1° | 174.7° |
| C22 | N21 | C25 | CM2 | 176.6° | 179.7° |
| C22 | N21 | C25 | H25 | 178.8° | 179.7° |
| C22 | N21 | CM2 | H223 | 180.0° | 84.6° |
| C22 | N21 | CM2 | H222 | 60.0° | 35.5° |
| C22 | N21 | CM2 | H221 | 60.0° | 155.4° |
| N21 | C22 | C23 | H23 | 179.3° | 179.8° |
| C75 | N71 | CM7 | H771 | 1.7° | 85.2° |
| C75 | N71 | CM7 | H773 | 121.7° | 154.7° |
| C75 | N71 | CM7 | H772 | 118.3° | 34.7° |
| O71 | C71 | N62 | HN6 | 170.9° | 174.8° |
| C65 | N61 | CM6 | H663 | 1.9° | 95.2° |
| C65 | N61 | CM6 | H661 | 118.1° | 144.9° |
| C65 | N61 | CM6 | H662 | 121.9° | 24.9° |
| CM6 | N61 | C65 | H65 | 5.5° | 0.0° |
| N61 | CM6 | H663 | H661 | 120.0° | 119.9° |
| N61 | CM6 | H663 | H662 | 120.0° | 120.0° |
| N61 | CM6 | H661 | H662 | 120.0° | 120.1° |
| CM7 | N71 | C75 | H75 | 0.8° | 0.1° |
| N71 | CM7 | H771 | H773 | 120.0° | 120.0° |
| N71 | CM7 | H771 | H772 | 120.0° | 120.0° |
| N71 | CM7 | H773 | H772 | 120.0° | 120.0° |
| C25 | N21 | CM2 | H223 | 4.1° | 95.1° |
| C25 | N21 | CM2 | H222 | 124.1° | 144.9° |
| C25 | N21 | CM2 | H221 | 115.9° | 24.9° |
| CM2 | N21 | C25 | H25 | 4.6° | 0.0° |
| N21 | CM2 | H223 | H222 | 120.0° | 120.0° |
| N21 | CM2 | H223 | H221 | 120.0° | 120.0° |
| N21 | CM2 | H222 | H221 | 120.0° | 120.0° |
| H031 | C03 | C04 | H042 | 178.1° | 60.0° |
| H031 | C03 | C04 | H041 | 62.8° | 179.9° |
| H031 | C03 | N01 | HN01 | 75.1° | 175.0° |
| H032 | C03 | C04 | H042 | 59.0° | 179.9° |
| H032 | C03 | C04 | H041 | 178.0° | 60.0° |
| H032 | C03 | N01 | HN01 | 165.8° | 65.0° |
| H042 | C04 | C05 | H052 | 170.6° | 179.9° |
| H042 | C04 | C05 | H051 | 50.6° | 60.0° |
| H041 | C04 | C05 | H052 | 70.4° | 60.0° |
| H041 | C04 | C05 | H051 | 169.6° | 180.0° |
| H052 | C05 | N02 | HN02 | 39.4° | 120.0° |
| H051 | C05 | N02 | HN02 | 159.4° | 120.0° |
| HN01 | N01 | C01 | H004 | 60.3° | 60.0° |
| HN01 | N01 | C01 | H005 | 179.7° | 60.0° |
| HN01 | N01 | C01 | H006 | 59.8° | 180.0° |
| HN01 | N01 | C02 | H001 | 60.8° | 60.0° |
| HN01 | N01 | C02 | H002 | 179.2° | 60.0° |
| HN01 | N01 | C02 | H003 | 59.2° | 180.0° |
| H004 | C01 | H005 | H006 | 120.0° | 119.9° |
| H001 | C02 | H002 | H003 | 120.0° | 120.0° |
| HN03 | N03 | C08 | H081 | 147.5° | 120.0° |
| HN03 | N03 | C08 | H082 | 28.3° | 120.0° |
| H112 | CM1 | H111 | H113 | 120.0° | 120.0° |
| H223 | CM2 | H222 | H221 | 120.0° | 120.0° |
| HN9 | N91 | C94 | H942 | 138.2° | 120.0° |
| HN9 | N91 | C94 | H943 | 20.1° | 119.9° |
| H332 | CM3 | H331 | H333 | 120.0° | 120.0° |
| H443 | CM4 | H442 | H441 | 120.0° | 120.0° |
| H081 | C08 | C07 | H072 | 170.4° | 180.0° |
| H081 | C08 | C07 | H071 | 70.1° | 60.0° |
| H082 | C08 | C07 | H072 | 51.1° | 60.0° |
| H082 | C08 | C07 | H071 | 170.7° | 179.9° |
| H553 | CM5 | H551 | H552 | 120.0° | 119.9° |
| H663 | CM6 | H661 | H662 | 120.0° | 120.1° |
| H771 | CM7 | H773 | H772 | 120.0° | 119.9° |
| H921 | C92 | C93 | H932 | 157.7° | 180.0° |
| H921 | C92 | C93 | H931 | 84.0° | 60.1° |
| H922 | C92 | C93 | H932 | 83.1° | 60.1° |
| H922 | C92 | C93 | H931 | 35.2° | 180.0° |
| H932 | C93 | C94 | H942 | 45.2° | 60.0° |
| H932 | C93 | C94 | H943 | 163.4° | 179.9° |
| H931 | C93 | C94 | H942 | 73.1° | 180.0° |
| H931 | C93 | C94 | H943 | 45.1° | 60.0° |
| H883 | CM8 | H881 | H882 | 119.9° | 119.9° |
