E87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CA | sing | 1.53Å | 1.46Å | |
| CB | SG | sing | 1.81Å | 1.72Å | |
| C | CA | sing | 1.53Å | 1.47Å | |
| C | O | sing | 1.43Å | 1.31Å | |
| O11 | CA1 | doub | 1.21Å | 1.18Å | |
| CA | N | sing | 1.46Å | 1.42Å | |
| SG | CA6 | sing | 1.81Å | 1.73Å | |
| CA6 | CA4 | sing | 1.53Å | 1.49Å | |
| CA1 | CA3 | sing | 1.51Å | 1.48Å | |
| CA1 | OB1 | sing | 1.34Å | 1.38Å | |
| CA5 | CA3 | sing | 1.53Å | 1.49Å | |
| CA5 | CA7 | sing | 1.53Å | 1.50Å | |
| CA4 | CA2 | sing | 1.53Å | 1.49Å | |
| CA4 | O21 | sing | 1.45Å | 1.39Å | |
| N | C1 | sing | 1.35Å | 1.28Å | |
| CA2 | OB1 | sing | 1.45Å | 1.38Å | |
| CA7 | CA8 | sing | 1.53Å | 1.50Å | |
| O2 | C1 | doub | 1.21Å | 1.17Å | |
| C1 | C2 | sing | 1.51Å | 1.47Å | |
| O21 | C15 | sing | 1.34Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| O1 | C15 | doub | 1.21Å | 1.15Å | |
| CA8 | CA9 | sing | 1.53Å | 1.51Å | |
| C15 | C21 | sing | 1.51Å | 1.49Å | |
| CA9 | CB2 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C21 | C31 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| CB2 | CB3 | sing | 1.53Å | 1.51Å | |
| C31 | C41 | sing | 1.53Å | 1.51Å | |
| CB3 | CB4 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C41 | C51 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| CB4 | C91 | sing | 1.53Å | 1.51Å | |
| C51 | C61 | sing | 1.53Å | 1.52Å | |
| C91 | C93 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C61 | C71 | sing | 1.53Å | 1.53Å | |
| C71 | C81 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C93 | C95 | sing | 1.53Å | 1.52Å | |
| C81 | CC1 | sing | 1.53Å | 1.52Å | |
| C90 | CC1 | sing | 1.53Å | 1.51Å | |
| C90 | C92 | sing | 1.53Å | 1.51Å | |
| C95 | C97 | sing | 1.53Å | 1.51Å | |
| C92 | C94 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C98 | C96 | sing | 1.53Å | 1.50Å | |
| C97 | C99 | sing | 1.53Å | 1.51Å | |
| C94 | C96 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| O | H18 | sing | 0.97Å | 0.95Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C51 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C61 | H33 | sing | 1.09Å | 1.10Å | |
| C61 | H34 | sing | 1.09Å | 1.10Å | |
| C71 | H35 | sing | 1.09Å | 1.10Å | |
| C71 | H36 | sing | 1.09Å | 1.10Å | |
| C81 | H37 | sing | 1.09Å | 1.10Å | |
| C81 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| CC1 | H41 | sing | 1.09Å | 1.10Å | |
| CC1 | H42 | sing | 1.09Å | 1.10Å | |
| C90 | H43 | sing | 1.09Å | 1.10Å | |
| C90 | H44 | sing | 1.09Å | 1.10Å | |
| C91 | H45 | sing | 1.09Å | 1.10Å | |
| C91 | H46 | sing | 1.09Å | 1.10Å | |
| C92 | H47 | sing | 1.09Å | 1.10Å | |
| C92 | H48 | sing | 1.09Å | 1.10Å | |
| C93 | H49 | sing | 1.09Å | 1.10Å | |
| C93 | H50 | sing | 1.09Å | 1.10Å | |
| C94 | H51 | sing | 1.09Å | 1.10Å | |
| C94 | H52 | sing | 1.09Å | 1.10Å | |
| C95 | H53 | sing | 1.09Å | 1.10Å | |
| C95 | H54 | sing | 1.09Å | 1.10Å | |
| C96 | H55 | sing | 1.09Å | 1.10Å | |
| C96 | H56 | sing | 1.09Å | 1.10Å | |
| C97 | H57 | sing | 1.09Å | 1.10Å | |
| C97 | H58 | sing | 1.09Å | 1.10Å | |
| C98 | H59 | sing | 1.09Å | 1.10Å | |
| C98 | H60 | sing | 1.09Å | 1.10Å | |
| C98 | H61 | sing | 1.09Å | 1.10Å | |
| C99 | H62 | sing | 1.09Å | 1.10Å | |
| C99 | H63 | sing | 1.09Å | 1.10Å | |
| C99 | H64 | sing | 1.09Å | 1.10Å | |
| CA2 | H65 | sing | 1.09Å | 1.10Å | |
| CA2 | H66 | sing | 1.09Å | 1.10Å | |
| CA3 | H67 | sing | 1.09Å | 1.10Å | |
| CA3 | H68 | sing | 1.09Å | 1.10Å | |
| CA4 | H69 | sing | 1.09Å | 1.10Å | |
| CA5 | H70 | sing | 1.09Å | 1.10Å | |
| CA5 | H71 | sing | 1.09Å | 1.10Å | |
| CA6 | H72 | sing | 1.09Å | 1.10Å | |
| CA6 | H73 | sing | 1.09Å | 1.10Å | |
| CA7 | H74 | sing | 1.09Å | 1.10Å | |
| CA7 | H75 | sing | 1.09Å | 1.10Å | |
| CA8 | H76 | sing | 1.09Å | 1.10Å | |
| CA8 | H77 | sing | 1.09Å | 1.10Å | |
| CA9 | H78 | sing | 1.09Å | 1.10Å | |
| CA9 | H79 | sing | 1.09Å | 1.10Å | |
| CB2 | H80 | sing | 1.09Å | 1.10Å | |
| CB2 | H81 | sing | 1.09Å | 1.10Å | |
| CB3 | H82 | sing | 1.09Å | 1.10Å | |
| CB3 | H83 | sing | 1.09Å | 1.10Å | |
| CB4 | H84 | sing | 1.09Å | 1.10Å | |
| CB4 | H85 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | CB | SG | 91.3° | 109.5° |
| CB | CA | C | 114.9° | 109.4° |
| CB | CA | N | 108.2° | 109.5° |
| CB | CA | H15 | 104.8° | 109.5° |
| CA | CB | H19 | 113.8° | 109.5° |
| CA | CB | H20 | 113.8° | 109.5° |
| CB | SG | CA6 | 113.3° | 103.0° |
| SG | CB | H19 | 113.8° | 109.4° |
| SG | CB | H20 | 113.8° | 109.4° |
| CA | C | O | 110.3° | 109.5° |
| C | CA | N | 117.7° | 109.4° |
| C | CA | H15 | 104.7° | 109.4° |
| CA | C | H16 | 109.2° | 109.5° |
| CA | C | H17 | 109.2° | 109.5° |
| O | C | H16 | 109.3° | 109.4° |
| O | C | H17 | 109.3° | 109.5° |
| C | O | H18 | 109.5° | 114.0° |
| O11 | CA1 | CA3 | 126.5° | 120.0° |
| O11 | CA1 | OB1 | 114.2° | 120.0° |
| CA | N | C1 | 113.1° | 120.0° |
| CA | N | H14 | 123.5° | 120.0° |
| N | CA | H15 | 105.2° | 109.5° |
| SG | CA6 | CA4 | 103.3° | 109.5° |
| SG | CA6 | H72 | 111.0° | 109.5° |
| SG | CA6 | H73 | 111.0° | 109.5° |
| CA6 | CA4 | CA2 | 113.0° | 109.5° |
| CA6 | CA4 | O21 | 111.0° | 109.5° |
| CA6 | CA4 | H69 | 105.8° | 109.4° |
| CA4 | CA6 | H72 | 111.0° | 109.5° |
| CA4 | CA6 | H73 | 111.0° | 109.5° |
| CA3 | CA1 | OB1 | 119.2° | 120.0° |
| CA1 | CA3 | CA5 | 107.2° | 109.5° |
| CA1 | CA3 | H67 | 110.0° | 109.5° |
| CA1 | CA3 | H68 | 110.0° | 109.5° |
| CA1 | OB1 | CA2 | 115.0° | 117.0° |
| CA3 | CA5 | CA7 | 106.3° | 109.5° |
| CA5 | CA3 | H67 | 110.0° | 109.5° |
| CA5 | CA3 | H68 | 110.0° | 109.4° |
| CA3 | CA5 | H70 | 110.3° | 109.5° |
| CA3 | CA5 | H71 | 110.3° | 109.5° |
| CA5 | CA7 | CA8 | 111.5° | 109.5° |
| CA7 | CA5 | H70 | 110.3° | 109.5° |
| CA7 | CA5 | H71 | 110.3° | 109.4° |
| CA5 | CA7 | H74 | 109.0° | 109.5° |
| CA5 | CA7 | H75 | 109.0° | 109.4° |
| CA2 | CA4 | O21 | 113.6° | 109.5° |
| CA4 | CA2 | OB1 | 109.2° | 109.5° |
| CA4 | CA2 | H65 | 109.6° | 109.4° |
| CA4 | CA2 | H66 | 109.6° | 109.5° |
| CA2 | CA4 | H69 | 105.8° | 109.5° |
| CA4 | O21 | C15 | 113.4° | 117.0° |
| O21 | CA4 | H69 | 106.9° | 109.5° |
| N | C1 | O2 | 121.9° | 120.0° |
| N | C1 | C2 | 119.6° | 120.0° |
| C1 | N | H14 | 123.5° | 120.0° |
| OB1 | CA2 | H65 | 109.5° | 109.5° |
| OB1 | CA2 | H66 | 109.5° | 109.5° |
| CA7 | CA8 | CA9 | 105.3° | 109.5° |
| CA8 | CA7 | H74 | 108.9° | 109.5° |
| CA8 | CA7 | H75 | 109.0° | 109.5° |
| CA7 | CA8 | H76 | 110.5° | 109.5° |
| CA7 | CA8 | H77 | 110.5° | 109.5° |
| O2 | C1 | C2 | 118.4° | 120.0° |
| C1 | C2 | C3 | 109.6° | 109.5° |
| C1 | C2 | H1 | 109.4° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| O21 | C15 | O1 | 113.5° | 120.0° |
| O21 | C15 | C21 | 128.9° | 120.0° |
| C2 | C3 | C4 | 105.0° | 109.5° |
| C3 | C2 | H1 | 109.4° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.4° |
| C2 | C3 | H6 | 110.6° | 109.5° |
| C2 | C3 | H7 | 110.6° | 109.4° |
| O1 | C15 | C21 | 117.4° | 120.0° |
| CA8 | CA9 | CB2 | 116.5° | 109.5° |
| CA9 | CA8 | H76 | 110.5° | 109.4° |
| CA9 | CA8 | H77 | 110.5° | 109.5° |
| CA8 | CA9 | H78 | 107.7° | 109.5° |
| CA8 | CA9 | H79 | 107.7° | 109.5° |
| C15 | C21 | C31 | 112.5° | 109.5° |
| C15 | C21 | H21 | 108.7° | 109.4° |
| C15 | C21 | H22 | 108.7° | 109.5° |
| CA9 | CB2 | CB3 | 102.1° | 109.5° |
| CB2 | CA9 | H78 | 107.7° | 109.5° |
| CB2 | CA9 | H79 | 107.7° | 109.5° |
| CA9 | CB2 | H80 | 111.3° | 109.5° |
| CA9 | CB2 | H81 | 111.3° | 109.4° |
| C3 | C4 | C5 | 104.7° | 109.5° |
| C4 | C3 | H6 | 110.5° | 109.5° |
| C4 | C3 | H7 | 110.6° | 109.5° |
| C3 | C4 | H25 | 110.7° | 109.5° |
| C3 | C4 | H26 | 110.7° | 109.4° |
| C21 | C31 | C41 | 112.0° | 109.5° |
| C31 | C21 | H21 | 108.7° | 109.5° |
| C31 | C21 | H22 | 108.7° | 109.5° |
| C21 | C31 | H23 | 108.8° | 109.5° |
| C21 | C31 | H24 | 108.8° | 109.5° |
| C4 | C5 | C6 | 108.7° | 109.5° |
| C4 | C5 | H8 | 109.7° | 109.5° |
| C4 | C5 | H9 | 109.7° | 109.5° |
| C5 | C4 | H25 | 110.6° | 109.5° |
| C5 | C4 | H26 | 110.6° | 109.5° |
| CB2 | CB3 | CB4 | 114.4° | 109.5° |
| CB3 | CB2 | H80 | 111.3° | 109.5° |
| CB3 | CB2 | H81 | 111.3° | 109.4° |
| CB2 | CB3 | H82 | 108.2° | 109.5° |
| CB2 | CB3 | H83 | 108.2° | 109.5° |
| C31 | C41 | C51 | 112.5° | 109.5° |
| C41 | C31 | H23 | 108.8° | 109.5° |
| C41 | C31 | H24 | 108.8° | 109.5° |
| C31 | C41 | H27 | 108.7° | 109.5° |
| C31 | C41 | H28 | 108.7° | 109.5° |
| CB3 | CB4 | C91 | 111.2° | 109.5° |
| CB4 | CB3 | H82 | 108.2° | 109.5° |
| CB4 | CB3 | H83 | 108.2° | 109.5° |
| CB3 | CB4 | H84 | 109.0° | 109.5° |
| CB3 | CB4 | H85 | 109.0° | 109.5° |
| C5 | C6 | C7 | 107.5° | 109.5° |
| C6 | C5 | H8 | 109.7° | 109.5° |
| C6 | C5 | H9 | 109.6° | 109.4° |
| C5 | C6 | H31 | 110.0° | 109.5° |
| C5 | C6 | H32 | 110.0° | 109.5° |
| C41 | C51 | C61 | 112.3° | 109.5° |
| C51 | C41 | H27 | 108.7° | 109.5° |
| C51 | C41 | H28 | 108.7° | 109.5° |
| C41 | C51 | H29 | 108.8° | 109.5° |
| C41 | C51 | H30 | 108.8° | 109.5° |
| C6 | C7 | C8 | 110.9° | 109.5° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C6 | C7 | H11 | 109.1° | 109.4° |
| C7 | C6 | H31 | 109.9° | 109.5° |
| C7 | C6 | H32 | 110.0° | 109.4° |
| CB4 | C91 | C93 | 111.9° | 109.5° |
| CB4 | C91 | H45 | 108.8° | 109.4° |
| CB4 | C91 | H46 | 108.9° | 109.5° |
| C91 | CB4 | H84 | 109.0° | 109.5° |
| C91 | CB4 | H85 | 109.0° | 109.4° |
| C51 | C61 | C71 | 114.6° | 109.5° |
| C61 | C51 | H29 | 108.7° | 109.5° |
| C61 | C51 | H30 | 108.7° | 109.5° |
| C51 | C61 | H33 | 108.2° | 109.5° |
| C51 | C61 | H34 | 108.2° | 109.5° |
| C91 | C93 | C95 | 109.7° | 109.5° |
| C93 | C91 | H45 | 108.9° | 109.4° |
| C93 | C91 | H46 | 108.8° | 109.5° |
| C91 | C93 | H49 | 109.4° | 109.5° |
| C91 | C93 | H50 | 109.4° | 109.5° |
| C7 | C8 | C9 | 109.1° | 109.5° |
| C8 | C7 | H10 | 109.1° | 109.5° |
| C8 | C7 | H11 | 109.1° | 109.5° |
| C7 | C8 | H12 | 109.6° | 109.5° |
| C7 | C8 | H13 | 109.6° | 109.5° |
| C61 | C71 | C81 | 114.4° | 109.5° |
| C71 | C61 | H33 | 108.2° | 109.4° |
| C71 | C61 | H34 | 108.2° | 109.5° |
| C61 | C71 | H35 | 108.2° | 109.5° |
| C61 | C71 | H36 | 108.2° | 109.5° |
| C71 | C81 | CC1 | 116.8° | 109.5° |
| C81 | C71 | H35 | 108.2° | 109.5° |
| C81 | C71 | H36 | 108.2° | 109.5° |
| C71 | C81 | H37 | 107.6° | 109.5° |
| C71 | C81 | H38 | 107.6° | 109.5° |
| C8 | C9 | C10 | 107.5° | 109.5° |
| C9 | C8 | H12 | 109.6° | 109.4° |
| C9 | C8 | H13 | 109.6° | 109.4° |
| C8 | C9 | H39 | 110.0° | 109.5° |
| C8 | C9 | H40 | 110.0° | 109.5° |
| C93 | C95 | C97 | 111.1° | 109.5° |
| C95 | C93 | H49 | 109.4° | 109.5° |
| C95 | C93 | H50 | 109.4° | 109.5° |
| C93 | C95 | H53 | 109.1° | 109.5° |
| C93 | C95 | H54 | 109.1° | 109.4° |
| C81 | CC1 | C90 | 111.1° | 109.5° |
| CC1 | C81 | H37 | 107.6° | 109.5° |
| CC1 | C81 | H38 | 107.6° | 109.4° |
| C81 | CC1 | H41 | 109.1° | 109.5° |
| C81 | CC1 | H42 | 109.1° | 109.4° |
| CC1 | C90 | C92 | 112.8° | 109.5° |
| C90 | CC1 | H41 | 109.0° | 109.5° |
| C90 | CC1 | H42 | 109.1° | 109.5° |
| CC1 | C90 | H43 | 108.6° | 109.5° |
| CC1 | C90 | H44 | 108.6° | 109.5° |
| C90 | C92 | C94 | 113.3° | 109.5° |
| C92 | C90 | H43 | 108.6° | 109.5° |
| C92 | C90 | H44 | 108.6° | 109.5° |
| C90 | C92 | H47 | 108.5° | 109.4° |
| C90 | C92 | H48 | 108.5° | 109.5° |
| C95 | C97 | C99 | 111.6° | 109.4° |
| C97 | C95 | H53 | 109.0° | 109.5° |
| C97 | C95 | H54 | 109.1° | 109.5° |
| C95 | C97 | H57 | 109.0° | 109.5° |
| C95 | C97 | H58 | 108.9° | 109.5° |
| C92 | C94 | C96 | 111.7° | 109.5° |
| C94 | C92 | H47 | 108.5° | 109.5° |
| C94 | C92 | H48 | 108.5° | 109.5° |
| C92 | C94 | H51 | 108.9° | 109.5° |
| C92 | C94 | H52 | 108.9° | 109.5° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.4° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C10 | C9 | H39 | 110.0° | 109.5° |
| C10 | C9 | H40 | 110.0° | 109.4° |
| C98 | C96 | C94 | 110.9° | 109.5° |
| C98 | C96 | H55 | 109.1° | 109.5° |
| C98 | C96 | H56 | 109.1° | 109.5° |
| C96 | C98 | H59 | 109.5° | 109.5° |
| C96 | C98 | H60 | 109.5° | 109.5° |
| C96 | C98 | H61 | 109.5° | 109.5° |
| C99 | C97 | H57 | 108.9° | 109.4° |
| C99 | C97 | H58 | 108.9° | 109.5° |
| C97 | C99 | H62 | 109.5° | 109.5° |
| C97 | C99 | H63 | 109.5° | 109.5° |
| C97 | C99 | H64 | 109.5° | 109.4° |
| C96 | C94 | H51 | 108.9° | 109.5° |
| C96 | C94 | H52 | 108.9° | 109.5° |
| C94 | C96 | H55 | 109.1° | 109.5° |
| C94 | C96 | H56 | 109.1° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H19 | CB | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H25 | C4 | H26 | 109.5° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.5° |
| H29 | C51 | H30 | 109.5° | 109.5° |
| H31 | C6 | H32 | 109.5° | 109.5° |
| H33 | C61 | H34 | 109.5° | 109.5° |
| H35 | C71 | H36 | 109.5° | 109.5° |
| H37 | C81 | H38 | 109.5° | 109.5° |
| H39 | C9 | H40 | 109.4° | 109.4° |
| H41 | CC1 | H42 | 109.5° | 109.5° |
| H43 | C90 | H44 | 109.5° | 109.4° |
| H45 | C91 | H46 | 109.5° | 109.5° |
| H47 | C92 | H48 | 109.5° | 109.5° |
| H49 | C93 | H50 | 109.5° | 109.4° |
| H51 | C94 | H52 | 109.5° | 109.5° |
| H53 | C95 | H54 | 109.5° | 109.4° |
| H55 | C96 | H56 | 109.5° | 109.4° |
| H57 | C97 | H58 | 109.5° | 109.5° |
| H59 | C98 | H60 | 109.5° | 109.5° |
| H59 | C98 | H61 | 109.4° | 109.5° |
| H60 | C98 | H61 | 109.5° | 109.4° |
| H62 | C99 | H63 | 109.4° | 109.5° |
| H62 | C99 | H64 | 109.5° | 109.5° |
| H63 | C99 | H64 | 109.4° | 109.4° |
| H65 | CA2 | H66 | 109.5° | 109.5° |
| H67 | CA3 | H68 | 109.5° | 109.4° |
| H70 | CA5 | H71 | 109.5° | 109.5° |
| H72 | CA6 | H73 | 109.5° | 109.4° |
| H74 | CA7 | H75 | 109.5° | 109.5° |
| H76 | CA8 | H77 | 109.5° | 109.5° |
| H78 | CA9 | H79 | 109.5° | 109.4° |
| H80 | CB2 | H81 | 109.5° | 109.5° |
| H82 | CB3 | H83 | 109.4° | 109.4° |
| H84 | CB4 | H85 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | CB | SG | H19 | 116.8° | 120.1° |
| CA | CB | SG | H20 | 116.8° | 120.0° |
| CB | CA | C | N | 129.2° | 120.0° |
| CB | CA | C | H15 | 114.4° | 120.0° |
| CB | CA | C | O | 144.9° | 55.0° |
| CB | CA | N | H15 | 111.6° | 120.1° |
| CA | CB | SG | CA6 | 155.6° | 180.0° |
| CB | CA | N | C1 | 135.3° | 155.0° |
| CB | CA | N | H14 | 44.7° | 24.9° |
| CB | CA | C | H16 | 95.0° | 175.0° |
| CB | CA | C | H17 | 24.8° | 65.0° |
| CA | CB | H19 | H20 | 128.6° | 120.1° |
| SG | CB | CA | C | 158.8° | 180.0° |
| SG | CB | CA | N | 67.4° | 60.1° |
| CB | SG | CA6 | CA4 | 71.4° | 180.0° |
| SG | CB | CA | H15 | 44.5° | 60.0° |
| SG | CB | H19 | H20 | 128.6° | 119.9° |
| CB | SG | CA6 | H72 | 47.6° | 59.9° |
| CB | SG | CA6 | H73 | 169.6° | 60.0° |
| CA | C | O | H16 | 120.1° | 120.0° |
| CA | C | O | H17 | 120.1° | 120.0° |
| C | CA | N | H15 | 116.1° | 119.9° |
| C | CA | N | C1 | 92.4° | 85.0° |
| C | CA | N | H14 | 87.5° | 95.1° |
| CA | C | H16 | H17 | 119.6° | 120.0° |
| CA | C | O | H18 | 180.0° | 180.0° |
| C | CA | CB | H19 | 84.4° | 60.0° |
| C | CA | CB | H20 | 42.0° | 60.0° |
| O | C | CA | N | 15.7° | 65.0° |
| O | C | CA | H15 | 100.7° | 175.0° |
| O | C | H16 | H17 | 119.6° | 120.0° |
| O11 | CA1 | CA3 | OB1 | 178.5° | 180.0° |
| O11 | CA1 | CA3 | CA5 | 78.4° | 0.0° |
| O11 | CA1 | OB1 | CA2 | 49.9° | 0.0° |
| O11 | CA1 | CA3 | H67 | 161.9° | 120.0° |
| O11 | CA1 | CA3 | H68 | 41.2° | 120.0° |
| CA | N | C1 | H14 | 180.0° | 179.9° |
| CA | N | C1 | O2 | 44.9° | 0.0° |
| CA | N | C1 | C2 | 133.2° | 179.9° |
| N | CA | C | H16 | 135.8° | 55.0° |
| N | CA | C | H17 | 104.4° | 175.0° |
| N | CA | CB | H19 | 49.4° | 59.9° |
| N | CA | CB | H20 | 175.8° | 180.0° |
| SG | CA6 | CA4 | H72 | 119.0° | 120.1° |
| SG | CA6 | CA4 | H73 | 119.0° | 120.0° |
| SG | CA6 | CA4 | CA2 | 171.1° | 180.0° |
| SG | CA6 | CA4 | O21 | 42.0° | 60.0° |
| CA6 | SG | CB | H19 | 38.8° | 60.0° |
| CA6 | SG | CB | H20 | 87.6° | 60.0° |
| SG | CA6 | CA4 | H69 | 73.6° | 60.0° |
| SG | CA6 | H72 | H73 | 122.9° | 120.0° |
| CA6 | CA4 | CA2 | O21 | 127.7° | 120.0° |
| CA6 | CA4 | CA2 | H69 | 115.3° | 120.0° |
| CA6 | CA4 | O21 | H69 | 115.0° | 120.0° |
| CA6 | CA4 | CA2 | OB1 | 30.3° | 55.0° |
| CA6 | CA4 | O21 | C15 | 102.2° | 90.0° |
| CA6 | CA4 | CA2 | H65 | 150.2° | 175.0° |
| CA6 | CA4 | CA2 | H66 | 89.7° | 65.0° |
| CA4 | CA6 | H72 | H73 | 122.8° | 120.0° |
| CA1 | CA3 | CA5 | H67 | 119.7° | 120.0° |
| CA1 | CA3 | CA5 | H68 | 119.7° | 120.0° |
| CA1 | CA3 | CA5 | CA7 | 139.9° | 180.0° |
| CA3 | CA1 | OB1 | CA2 | 128.8° | 180.0° |
| CA1 | CA3 | H67 | H68 | 121.0° | 120.0° |
| CA1 | CA3 | CA5 | H70 | 100.6° | 60.0° |
| CA1 | CA3 | CA5 | H71 | 20.4° | 60.0° |
| OB1 | CA1 | CA3 | CA5 | 103.1° | 180.0° |
| CA1 | OB1 | CA2 | CA4 | 119.3° | 180.0° |
| CA1 | OB1 | CA2 | H65 | 120.8° | 60.1° |
| CA1 | OB1 | CA2 | H66 | 0.7° | 60.0° |
| OB1 | CA1 | CA3 | H67 | 16.6° | 60.0° |
| OB1 | CA1 | CA3 | H68 | 137.3° | 60.0° |
| CA3 | CA5 | CA7 | H70 | 119.5° | 120.1° |
| CA3 | CA5 | CA7 | H71 | 119.5° | 120.0° |
| CA3 | CA5 | CA7 | CA8 | 38.5° | 180.0° |
| CA5 | CA3 | H67 | H68 | 121.0° | 120.0° |
| CA3 | CA5 | H70 | H71 | 121.5° | 120.0° |
| CA3 | CA5 | CA7 | H74 | 81.8° | 59.9° |
| CA3 | CA5 | CA7 | H75 | 158.8° | 60.0° |
| CA5 | CA7 | CA8 | H74 | 120.3° | 120.0° |
| CA5 | CA7 | CA8 | H75 | 120.3° | 120.0° |
| CA5 | CA7 | CA8 | CA9 | 155.7° | NaN° |
| CA7 | CA5 | CA3 | H67 | 20.3° | 60.0° |
| CA7 | CA5 | CA3 | H68 | 100.4° | 60.0° |
| CA7 | CA5 | H70 | H71 | 121.5° | 119.9° |
| CA5 | CA7 | H74 | H75 | 119.1° | 120.0° |
| CA5 | CA7 | CA8 | H76 | 36.3° | 60.0° |
| CA5 | CA7 | CA8 | H77 | 85.0° | 60.0° |
| CA2 | CA4 | O21 | H69 | 116.4° | 120.0° |
| CA4 | CA2 | OB1 | H65 | 120.0° | 120.0° |
| CA4 | CA2 | OB1 | H66 | 120.0° | 120.0° |
| CA2 | CA4 | O21 | C15 | 26.5° | 150.0° |
| CA4 | CA2 | H65 | H66 | 120.2° | 120.0° |
| CA2 | CA4 | CA6 | H72 | 69.9° | 59.9° |
| CA2 | CA4 | CA6 | H73 | 52.1° | 60.0° |
| O21 | CA4 | CA2 | OB1 | 97.4° | 65.0° |
| CA4 | O21 | C15 | O1 | 52.2° | 0.0° |
| CA4 | O21 | C15 | C21 | 133.1° | 180.0° |
| O21 | CA4 | CA2 | H65 | 22.5° | 55.0° |
| O21 | CA4 | CA2 | H66 | 142.6° | 175.0° |
| O21 | CA4 | CA6 | H72 | 161.0° | 180.0° |
| O21 | CA4 | CA6 | H73 | 77.0° | 60.0° |
| N | C1 | O2 | C2 | 178.1° | 180.0° |
| N | C1 | C2 | C3 | 118.8° | 180.0° |
| N | C1 | C2 | H1 | 121.2° | 60.0° |
| N | C1 | C2 | H2 | 1.2° | 60.0° |
| C1 | N | CA | H15 | 23.7° | 34.9° |
| OB1 | CA2 | H65 | H66 | 120.1° | 120.0° |
| OB1 | CA2 | CA4 | H69 | 145.6° | 175.0° |
| CA7 | CA8 | CA9 | H76 | 119.3° | 120.0° |
| CA7 | CA8 | CA9 | H77 | 119.3° | 120.0° |
| CA7 | CA8 | CA9 | CB2 | 153.9° | 180.0° |
| CA8 | CA7 | CA5 | H70 | 158.0° | 60.0° |
| CA8 | CA7 | CA5 | H71 | 81.0° | 60.0° |
| CA8 | CA7 | H74 | H75 | 119.1° | 120.0° |
| CA7 | CA8 | H76 | H77 | 121.9° | 120.0° |
| CA7 | CA8 | CA9 | H78 | 85.1° | 60.0° |
| CA7 | CA8 | CA9 | H79 | 32.9° | 60.0° |
| O2 | C1 | C2 | C3 | 63.0° | 0.0° |
| O2 | C1 | C2 | H1 | 57.0° | 120.0° |
| O2 | C1 | C2 | H2 | 177.0° | 120.0° |
| O2 | C1 | N | H14 | 135.2° | 179.9° |
| C1 | C2 | C3 | H1 | 120.0° | 120.1° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 167.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 47.8° | 60.0° |
| C1 | C2 | C3 | H7 | 73.7° | 60.0° |
| C2 | C1 | N | H14 | 46.7° | 0.0° |
| O21 | C15 | O1 | C21 | 175.4° | 180.0° |
| O21 | C15 | C21 | C31 | 176.8° | 180.0° |
| O21 | C15 | C21 | H21 | 62.7° | 60.0° |
| O21 | C15 | C21 | H22 | 56.4° | 60.0° |
| C15 | O21 | CA4 | H69 | 142.8° | 30.0° |
| C2 | C3 | C4 | H6 | 119.3° | 120.0° |
| C2 | C3 | C4 | H7 | 119.3° | 120.0° |
| C2 | C3 | C4 | C5 | 147.5° | 180.0° |
| C3 | C2 | H1 | H2 | 120.0° | 119.9° |
| C2 | C3 | H6 | H7 | 122.1° | 120.0° |
| C2 | C3 | C4 | H25 | 93.3° | 60.0° |
| C2 | C3 | C4 | H26 | 28.3° | 60.0° |
| O1 | C15 | C21 | C31 | 8.6° | 0.1° |
| O1 | C15 | C21 | H21 | 111.8° | 120.0° |
| O1 | C15 | C21 | H22 | 129.1° | 120.0° |
| CA8 | CA9 | CB2 | H78 | 121.0° | 120.0° |
| CA8 | CA9 | CB2 | H79 | 121.0° | 120.0° |
| CA8 | CA9 | CB2 | CB3 | 178.6° | 180.0° |
| CA9 | CA8 | CA7 | H74 | 84.0° | 60.0° |
| CA9 | CA8 | CA7 | H75 | 35.4° | 60.0° |
| CA9 | CA8 | H76 | H77 | 121.9° | 120.0° |
| CA8 | CA9 | H78 | H79 | 116.8° | 120.0° |
| CA8 | CA9 | CB2 | H80 | 59.8° | 60.0° |
| CA8 | CA9 | CB2 | H81 | 62.6° | 60.1° |
| C15 | C21 | C31 | H21 | 120.5° | 120.0° |
| C15 | C21 | C31 | H22 | 120.5° | 120.0° |
| C15 | C21 | C31 | C41 | 98.5° | 180.0° |
| C15 | C21 | H21 | H22 | 118.6° | 120.0° |
| C15 | C21 | C31 | H23 | 141.2° | 60.0° |
| C15 | C21 | C31 | H24 | 21.9° | 60.0° |
| CA9 | CB2 | CB3 | H80 | 118.8° | 120.1° |
| CA9 | CB2 | CB3 | H81 | 118.8° | 119.9° |
| CA9 | CB2 | CB3 | CB4 | 173.2° | 180.0° |
| CB2 | CA9 | CA8 | H76 | 34.6° | 60.0° |
| CB2 | CA9 | CA8 | H77 | 86.8° | 60.0° |
| CB2 | CA9 | H78 | H79 | 116.8° | 120.0° |
| CA9 | CB2 | H80 | H81 | 123.5° | 120.0° |
| CA9 | CB2 | CB3 | H82 | 52.4° | 59.9° |
| CA9 | CB2 | CB3 | H83 | 66.1° | 60.0° |
| C3 | C4 | C5 | H25 | 119.3° | 120.1° |
| C3 | C4 | C5 | H26 | 119.2° | 119.9° |
| C3 | C4 | C5 | C6 | 174.5° | 180.0° |
| C4 | C3 | C2 | H1 | 73.0° | 60.0° |
| C4 | C3 | C2 | H2 | 47.0° | 59.9° |
| C4 | C3 | H6 | H7 | 122.0° | 120.0° |
| C3 | C4 | C5 | H8 | 65.6° | 59.9° |
| C3 | C4 | C5 | H9 | 54.6° | 60.1° |
| C3 | C4 | H25 | H26 | 122.2° | 119.9° |
| C21 | C31 | C41 | H23 | 120.4° | 120.0° |
| C21 | C31 | C41 | H24 | 120.4° | 120.0° |
| C21 | C31 | C41 | C51 | 174.6° | 180.0° |
| C31 | C21 | H21 | H22 | 118.6° | 120.0° |
| C21 | C31 | H23 | H24 | 118.8° | 120.0° |
| C21 | C31 | C41 | H27 | 65.0° | 60.0° |
| C21 | C31 | C41 | H28 | 54.2° | 60.0° |
| C4 | C5 | C6 | H8 | 119.9° | 120.1° |
| C4 | C5 | C6 | H9 | 119.9° | 120.0° |
| C4 | C5 | C6 | C7 | 129.9° | 180.0° |
| C5 | C4 | C3 | H6 | 28.2° | 59.9° |
| C5 | C4 | C3 | H7 | 93.2° | 60.1° |
| C4 | C5 | H8 | H9 | 120.3° | 120.0° |
| C5 | C4 | H25 | H26 | 122.2° | 120.0° |
| C4 | C5 | C6 | H31 | 10.2° | 59.9° |
| C4 | C5 | C6 | H32 | 110.4° | 60.1° |
| CB2 | CB3 | CB4 | H82 | 120.7° | 120.0° |
| CB2 | CB3 | CB4 | H83 | 120.7° | 120.0° |
| CB2 | CB3 | CB4 | C91 | 71.0° | NaN° |
| CB3 | CB2 | CA9 | H78 | 60.4° | 60.0° |
| CB3 | CB2 | CA9 | H79 | 57.6° | 60.0° |
| CB3 | CB2 | H80 | H81 | 123.4° | 120.0° |
| CB2 | CB3 | H82 | H83 | 117.7° | 120.0° |
| CB2 | CB3 | CB4 | H84 | 168.8° | 60.0° |
| CB2 | CB3 | CB4 | H85 | 49.3° | 60.0° |
| C31 | C41 | C51 | H27 | 120.4° | 120.0° |
| C31 | C41 | C51 | H28 | 120.4° | 120.0° |
| C31 | C41 | C51 | C61 | 97.9° | 180.0° |
| C41 | C31 | C21 | H21 | 22.0° | 60.0° |
| C41 | C31 | C21 | H22 | 141.1° | 60.0° |
| C41 | C31 | H23 | H24 | 118.8° | 120.0° |
| C31 | C41 | H27 | H28 | 118.6° | 120.0° |
| C31 | C41 | C51 | H29 | 22.5° | 60.0° |
| C31 | C41 | C51 | H30 | 141.7° | 60.0° |
| CB3 | CB4 | C91 | H84 | 120.2° | 120.0° |
| CB3 | CB4 | C91 | H85 | 120.3° | 120.0° |
| CB3 | CB4 | C91 | C93 | 153.7° | 180.0° |
| CB3 | CB4 | C91 | H45 | 85.9° | 60.0° |
| CB3 | CB4 | C91 | H46 | 33.4° | 60.0° |
| CB4 | CB3 | CB2 | H80 | 68.0° | 60.0° |
| CB4 | CB3 | CB2 | H81 | 54.4° | 60.0° |
| CB4 | CB3 | H82 | H83 | 117.8° | 120.0° |
| CB3 | CB4 | H84 | H85 | 119.2° | 120.0° |
| C5 | C6 | C7 | H31 | 119.7° | 120.0° |
| C5 | C6 | C7 | H32 | 119.7° | 120.0° |
| C5 | C6 | C7 | C8 | 176.8° | 180.0° |
| C6 | C5 | H8 | H9 | 120.3° | 119.9° |
| C5 | C6 | C7 | H10 | 63.0° | 60.0° |
| C5 | C6 | C7 | H11 | 56.6° | 59.9° |
| C6 | C5 | C4 | H25 | 55.2° | 59.9° |
| C6 | C5 | C4 | H26 | 66.3° | 60.1° |
| C5 | C6 | H31 | H32 | 120.9° | 120.0° |
| C41 | C51 | C61 | H29 | 120.4° | 120.0° |
| C41 | C51 | C61 | H30 | 120.4° | 120.0° |
| C41 | C51 | C61 | C71 | 153.0° | 180.0° |
| C51 | C41 | C31 | H23 | 54.2° | 60.0° |
| C51 | C41 | C31 | H24 | 65.0° | 60.0° |
| C51 | C41 | H27 | H28 | 118.6° | 120.0° |
| C41 | C51 | H29 | H30 | 118.7° | 120.0° |
| C41 | C51 | C61 | H33 | 86.2° | 60.1° |
| C41 | C51 | C61 | H34 | 32.2° | 60.0° |
| C6 | C7 | C8 | H10 | 120.2° | 120.0° |
| C6 | C7 | C8 | H11 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 177.4° | 180.0° |
| C7 | C6 | C5 | H8 | 110.2° | 60.0° |
| C7 | C6 | C5 | H9 | 10.0° | 60.0° |
| C6 | C7 | H10 | H11 | 119.4° | 119.9° |
| C6 | C7 | C8 | H12 | 57.5° | 60.0° |
| C6 | C7 | C8 | H13 | 62.6° | 60.0° |
| C7 | C6 | H31 | H32 | 120.9° | 120.0° |
| CB4 | C91 | C93 | H45 | 120.3° | 119.9° |
| CB4 | C91 | C93 | H46 | 120.4° | 120.0° |
| CB4 | C91 | C93 | C95 | 166.2° | 180.0° |
| CB4 | C91 | H45 | H46 | 118.9° | 120.0° |
| CB4 | C91 | C93 | H49 | 46.2° | 60.0° |
| CB4 | C91 | C93 | H50 | 73.7° | 60.0° |
| C91 | CB4 | CB3 | H82 | 49.7° | 60.0° |
| C91 | CB4 | CB3 | H83 | 168.3° | 60.0° |
| C91 | CB4 | H84 | H85 | 119.2° | 120.0° |
| C51 | C61 | C71 | H33 | 120.8° | 120.0° |
| C51 | C61 | C71 | H34 | 120.8° | 120.0° |
| C51 | C61 | C71 | C81 | 113.7° | 180.0° |
| C61 | C51 | C41 | H27 | 141.7° | 60.0° |
| C61 | C51 | C41 | H28 | 22.5° | 60.0° |
| C61 | C51 | H29 | H30 | 118.7° | 120.0° |
| C51 | C61 | H33 | H34 | 117.6° | 120.0° |
| C51 | C61 | C71 | H35 | 7.0° | 60.0° |
| C51 | C61 | C71 | H36 | 125.6° | 60.0° |
| C91 | C93 | C95 | H49 | 120.0° | 120.1° |
| C91 | C93 | C95 | H50 | 120.0° | 120.0° |
| C91 | C93 | C95 | C97 | 161.1° | 180.0° |
| C93 | C91 | H45 | H46 | 118.9° | 120.0° |
| C91 | C93 | H49 | H50 | 119.9° | 120.0° |
| C91 | C93 | C95 | H53 | 78.6° | 59.9° |
| C91 | C93 | C95 | H54 | 40.9° | 60.0° |
| C93 | C91 | CB4 | H84 | 33.5° | 60.0° |
| C93 | C91 | CB4 | H85 | 86.0° | 60.0° |
| C7 | C8 | C9 | H12 | 119.9° | 120.0° |
| C7 | C8 | C9 | H13 | 119.9° | 120.0° |
| C7 | C8 | C9 | C10 | 40.1° | 180.0° |
| C8 | C7 | H10 | H11 | 119.3° | 120.0° |
| C7 | C8 | H12 | H13 | 120.2° | 120.0° |
| C8 | C7 | C6 | H31 | 57.1° | 60.0° |
| C8 | C7 | C6 | H32 | 63.5° | 60.0° |
| C7 | C8 | C9 | H39 | 79.6° | 60.0° |
| C7 | C8 | C9 | H40 | 159.8° | 60.0° |
| C61 | C71 | C81 | H35 | 120.7° | 120.0° |
| C61 | C71 | C81 | H36 | 120.7° | 120.0° |
| C61 | C71 | C81 | CC1 | 176.3° | 180.0° |
| C71 | C61 | C51 | H29 | 32.6° | 60.0° |
| C71 | C61 | C51 | H30 | 86.6° | 60.0° |
| C71 | C61 | H33 | H34 | 117.7° | 120.0° |
| C61 | C71 | H35 | H36 | 117.7° | 120.0° |
| C61 | C71 | C81 | H37 | 62.6° | 60.0° |
| C61 | C71 | C81 | H38 | 55.3° | 60.0° |
| C71 | C81 | CC1 | H37 | 121.0° | 120.0° |
| C71 | C81 | CC1 | H38 | 121.1° | 120.0° |
| C71 | C81 | CC1 | C90 | 103.7° | 180.0° |
| C81 | C71 | C61 | H33 | 125.5° | 60.0° |
| C81 | C71 | C61 | H34 | 7.0° | 60.0° |
| C81 | C71 | H35 | H36 | 117.7° | 120.0° |
| C71 | C81 | H37 | H38 | 116.7° | 120.0° |
| C71 | C81 | CC1 | H41 | 16.5° | 60.0° |
| C71 | C81 | CC1 | H42 | 136.1° | 60.0° |
| C8 | C9 | C10 | H39 | 119.7° | 120.1° |
| C8 | C9 | C10 | H40 | 119.7° | 120.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | H4 | 60.0° | 60.0° |
| C8 | C9 | C10 | H5 | 60.0° | 59.9° |
| C9 | C8 | C7 | H10 | 62.3° | 60.0° |
| C9 | C8 | C7 | H11 | 57.2° | 60.0° |
| C9 | C8 | H12 | H13 | 120.2° | 119.9° |
| C8 | C9 | H39 | H40 | 120.9° | 120.0° |
| C93 | C95 | C97 | H53 | 120.3° | 120.0° |
| C93 | C95 | C97 | H54 | 120.3° | 120.0° |
| C93 | C95 | C97 | C99 | 178.9° | 180.0° |
| C95 | C93 | C91 | H45 | 73.4° | 60.1° |
| C95 | C93 | C91 | H46 | 45.9° | 60.0° |
| C95 | C93 | H49 | H50 | 119.9° | 120.0° |
| C93 | C95 | H53 | H54 | 119.3° | 119.9° |
| C93 | C95 | C97 | H57 | 58.6° | 60.0° |
| C93 | C95 | C97 | H58 | 60.8° | 60.0° |
| C81 | CC1 | C90 | H41 | 120.2° | 120.0° |
| C81 | CC1 | C90 | H42 | 120.2° | 120.0° |
| C81 | CC1 | C90 | C92 | 177.3° | 180.0° |
| CC1 | C81 | C71 | H35 | 55.6° | 60.0° |
| CC1 | C81 | C71 | H36 | 62.9° | 60.0° |
| CC1 | C81 | H37 | H38 | 116.7° | 120.0° |
| C81 | CC1 | H41 | H42 | 119.3° | 120.0° |
| C81 | CC1 | C90 | H43 | 56.9° | 60.0° |
| C81 | CC1 | C90 | H44 | 62.2° | 60.0° |
| CC1 | C90 | C92 | H43 | 120.5° | 120.0° |
| CC1 | C90 | C92 | H44 | 120.5° | 120.1° |
| CC1 | C90 | C92 | C94 | 38.5° | 180.0° |
| C90 | CC1 | C81 | H37 | 135.3° | 60.0° |
| C90 | CC1 | C81 | H38 | 17.4° | 60.0° |
| C90 | CC1 | H41 | H42 | 119.3° | 120.0° |
| CC1 | C90 | H43 | H44 | 118.5° | 120.0° |
| CC1 | C90 | C92 | H47 | 159.1° | 60.0° |
| CC1 | C90 | C92 | H48 | 82.1° | 60.0° |
| C90 | C92 | C94 | H47 | 120.6° | 120.0° |
| C90 | C92 | C94 | H48 | 120.6° | 120.0° |
| C90 | C92 | C94 | C96 | 158.5° | 180.0° |
| C92 | C90 | CC1 | H41 | 62.4° | 60.0° |
| C92 | C90 | CC1 | H42 | 57.1° | 60.0° |
| C92 | C90 | H43 | H44 | 118.5° | 120.0° |
| C90 | C92 | H47 | H48 | 118.2° | 120.0° |
| C90 | C92 | C94 | H51 | 81.2° | 60.0° |
| C90 | C92 | C94 | H52 | 38.2° | 60.0° |
| C95 | C97 | C99 | H57 | 120.3° | 120.0° |
| C95 | C97 | C99 | H58 | 120.3° | 120.0° |
| C97 | C95 | C93 | H49 | 41.1° | 60.0° |
| C97 | C95 | C93 | H50 | 78.9° | 60.0° |
| C97 | C95 | H53 | H54 | 119.3° | 120.1° |
| C95 | C97 | H57 | H58 | 119.0° | 120.0° |
| C95 | C97 | C99 | H62 | 180.0° | 60.0° |
| C95 | C97 | C99 | H63 | 60.0° | 180.0° |
| C95 | C97 | C99 | H64 | 60.0° | 60.0° |
| C92 | C94 | C96 | C98 | 15.7° | 180.0° |
| C92 | C94 | C96 | H51 | 120.3° | 120.0° |
| C92 | C94 | C96 | H52 | 120.3° | 120.0° |
| C94 | C92 | C90 | H43 | 82.0° | 60.0° |
| C94 | C92 | C90 | H44 | 159.0° | 59.9° |
| C94 | C92 | H47 | H48 | 118.2° | 120.0° |
| C92 | C94 | H51 | H52 | 119.0° | 120.0° |
| C92 | C94 | C96 | H55 | 104.5° | 60.0° |
| C92 | C94 | C96 | H56 | 136.0° | 60.0° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 119.9° |
| C10 | C9 | C8 | H12 | 160.0° | 60.0° |
| C10 | C9 | C8 | H13 | 79.9° | 60.0° |
| C10 | C9 | H39 | H40 | 120.9° | 119.9° |
| C98 | C96 | C94 | H55 | 120.2° | 120.0° |
| C98 | C96 | C94 | H56 | 120.2° | 120.0° |
| C98 | C96 | C94 | H51 | 104.6° | 60.0° |
| C98 | C96 | C94 | H52 | 136.1° | 60.0° |
| C98 | C96 | H55 | H56 | 119.4° | 119.9° |
| C96 | C98 | H59 | H60 | 120.0° | 120.0° |
| C96 | C98 | H59 | H61 | 120.0° | 120.0° |
| C96 | C98 | H60 | H61 | 120.0° | 120.0° |
| C99 | C97 | C95 | H53 | 60.8° | 60.0° |
| C99 | C97 | C95 | H54 | 58.6° | 60.0° |
| C99 | C97 | H57 | H58 | 119.0° | 120.0° |
| C97 | C99 | H62 | H63 | 120.0° | 120.1° |
| C97 | C99 | H62 | H64 | 120.0° | 120.0° |
| C97 | C99 | H63 | H64 | 120.0° | 119.9° |
| C96 | C94 | C92 | H47 | 37.9° | 60.1° |
| C96 | C94 | C92 | H48 | 80.9° | 60.0° |
| C96 | C94 | H51 | H52 | 119.0° | 120.0° |
| C94 | C96 | H55 | H56 | 119.3° | 120.1° |
| C94 | C96 | C98 | H59 | 180.0° | 60.0° |
| C94 | C96 | C98 | H60 | 60.0° | 180.0° |
| C94 | C96 | C98 | H61 | 60.0° | 60.1° |
| H1 | C2 | C3 | H6 | 167.8° | 60.1° |
| H1 | C2 | C3 | H7 | 46.3° | 180.0° |
| H2 | C2 | C3 | H6 | 72.2° | 180.0° |
| H2 | C2 | C3 | H7 | 166.3° | 60.0° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H3 | C10 | C9 | H39 | 60.3° | 60.0° |
| H3 | C10 | C9 | H40 | 60.3° | 59.9° |
| H4 | C10 | C9 | H39 | 179.7° | 60.1° |
| H4 | C10 | C9 | H40 | 59.7° | 180.0° |
| H5 | C10 | C9 | H39 | 59.7° | 180.0° |
| H5 | C10 | C9 | H40 | 179.7° | 60.1° |
| H6 | C3 | C4 | H25 | 147.4° | 180.0° |
| H6 | C3 | C4 | H26 | 91.0° | 60.0° |
| H7 | C3 | C4 | H25 | 26.0° | 60.0° |
| H7 | C3 | C4 | H26 | 147.6° | 180.0° |
| H8 | C5 | C4 | H25 | 175.1° | 180.0° |
| H8 | C5 | C4 | H26 | 53.6° | 60.0° |
| H8 | C5 | C6 | H31 | 130.1° | 180.0° |
| H8 | C5 | C6 | H32 | 9.5° | 60.0° |
| H9 | C5 | C4 | H25 | 64.7° | 60.0° |
| H9 | C5 | C4 | H26 | 173.8° | 180.0° |
| H9 | C5 | C6 | H31 | 109.7° | 60.0° |
| H9 | C5 | C6 | H32 | 129.7° | 180.0° |
| H10 | C7 | C8 | H12 | 177.7° | 60.0° |
| H10 | C7 | C8 | H13 | 57.6° | 180.0° |
| H10 | C7 | C6 | H31 | 177.3° | 60.1° |
| H10 | C7 | C6 | H32 | 56.6° | 180.0° |
| H11 | C7 | C8 | H12 | 62.7° | 180.0° |
| H11 | C7 | C8 | H13 | 177.2° | 60.0° |
| H11 | C7 | C6 | H31 | 63.1° | 180.0° |
| H11 | C7 | C6 | H32 | 176.3° | 60.0° |
| H12 | C8 | C9 | H39 | 40.3° | 60.1° |
| H12 | C8 | C9 | H40 | 80.3° | 180.0° |
| H13 | C8 | C9 | H39 | 160.4° | 180.0° |
| H13 | C8 | C9 | H40 | 39.8° | 60.0° |
| H14 | N | CA | H15 | 156.4° | 145.0° |
| H15 | CA | C | H16 | 19.5° | 65.0° |
| H15 | CA | C | H17 | 139.2° | 55.0° |
| H15 | CA | CB | H19 | 161.3° | 180.0° |
| H15 | CA | CB | H20 | 72.3° | 59.9° |
| H16 | C | O | H18 | 59.9° | 60.1° |
| H17 | C | O | H18 | 59.9° | 59.9° |
| H21 | C21 | C31 | H23 | 98.4° | 180.0° |
| H21 | C21 | C31 | H24 | 142.4° | 60.0° |
| H22 | C21 | C31 | H23 | 20.7° | 60.0° |
| H22 | C21 | C31 | H24 | 98.6° | 180.0° |
| H23 | C31 | C41 | H27 | 174.7° | 180.0° |
| H23 | C31 | C41 | H28 | 66.2° | 60.0° |
| H24 | C31 | C41 | H27 | 55.4° | 60.0° |
| H24 | C31 | C41 | H28 | 174.6° | 180.0° |
| H27 | C41 | C51 | H29 | 97.9° | 180.0° |
| H27 | C41 | C51 | H30 | 21.2° | 60.0° |
| H28 | C41 | C51 | H29 | 142.9° | 60.0° |
| H28 | C41 | C51 | H30 | 97.9° | NaN° |
| H29 | C51 | C61 | H33 | 153.3° | 180.0° |
| H29 | C51 | C61 | H34 | 88.2° | 60.0° |
| H30 | C51 | C61 | H33 | 34.2° | 60.0° |
| H30 | C51 | C61 | H34 | 152.7° | 180.0° |
| H33 | C61 | C71 | H35 | 113.8° | 180.0° |
| H33 | C61 | C71 | H36 | 4.8° | 60.0° |
| H34 | C61 | C71 | H35 | 127.8° | 60.0° |
| H34 | C61 | C71 | H36 | 113.7° | 180.0° |
| H35 | C71 | C81 | H37 | 176.7° | 180.0° |
| H35 | C71 | C81 | H38 | 65.4° | 60.0° |
| H36 | C71 | C81 | H37 | 58.1° | 60.0° |
| H36 | C71 | C81 | H38 | 176.0° | 180.0° |
| H37 | C81 | CC1 | H41 | 104.5° | NaN° |
| H37 | C81 | CC1 | H42 | 15.0° | 60.0° |
| H38 | C81 | CC1 | H41 | 137.6° | 60.0° |
| H38 | C81 | CC1 | H42 | 102.9° | 180.0° |
| H41 | CC1 | C90 | H43 | 177.1° | NaN° |
| H41 | CC1 | C90 | H44 | 58.0° | 60.0° |
| H42 | CC1 | C90 | H43 | 63.4° | 60.0° |
| H42 | CC1 | C90 | H44 | 177.6° | 180.0° |
| H43 | C90 | C92 | H47 | 38.6° | 180.0° |
| H43 | C90 | C92 | H48 | 157.4° | 60.0° |
| H44 | C90 | C92 | H47 | 80.4° | 60.0° |
| H44 | C90 | C92 | H48 | 38.4° | 179.9° |
| H45 | C91 | C93 | H49 | 166.6° | 60.0° |
| H45 | C91 | C93 | H50 | 46.6° | 179.9° |
| H45 | C91 | CB4 | H84 | 153.9° | 179.9° |
| H45 | C91 | CB4 | H85 | 34.4° | 60.0° |
| H46 | C91 | C93 | H49 | 74.1° | 180.0° |
| H46 | C91 | C93 | H50 | 165.9° | 60.0° |
| H46 | C91 | CB4 | H84 | 86.8° | 60.0° |
| H46 | C91 | CB4 | H85 | 153.7° | 180.0° |
| H47 | C92 | C94 | H51 | 158.3° | 180.0° |
| H47 | C92 | C94 | H52 | 82.4° | 60.0° |
| H48 | C92 | C94 | H51 | 39.4° | 60.0° |
| H48 | C92 | C94 | H52 | 158.7° | 180.0° |
| H49 | C93 | C95 | H53 | 161.3° | 180.0° |
| H49 | C93 | C95 | H54 | 79.2° | 60.1° |
| H50 | C93 | C95 | H53 | 41.4° | 60.0° |
| H50 | C93 | C95 | H54 | 160.9° | 180.0° |
| H51 | C94 | C96 | H55 | 135.2° | 180.0° |
| H51 | C94 | C96 | H56 | 15.6° | 60.0° |
| H52 | C94 | C96 | H55 | 15.9° | 60.0° |
| H52 | C94 | C96 | H56 | 103.7° | 180.0° |
| H53 | C95 | C97 | H57 | 178.8° | 180.0° |
| H53 | C95 | C97 | H58 | 59.5° | 60.0° |
| H54 | C95 | C97 | H57 | 61.7° | 60.0° |
| H54 | C95 | C97 | H58 | 179.0° | 180.0° |
| H55 | C96 | C98 | H59 | 59.8° | 60.0° |
| H55 | C96 | C98 | H60 | 60.2° | 60.0° |
| H55 | C96 | C98 | H61 | 179.8° | 180.0° |
| H56 | C96 | C98 | H59 | 59.8° | 180.0° |
| H56 | C96 | C98 | H60 | 179.8° | 60.0° |
| H56 | C96 | C98 | H61 | 60.2° | 60.0° |
| H57 | C97 | C99 | H62 | 59.7° | 60.0° |
| H57 | C97 | C99 | H63 | 179.7° | 60.1° |
| H57 | C97 | C99 | H64 | 60.4° | 180.0° |
| H58 | C97 | C99 | H62 | 59.6° | 180.0° |
| H58 | C97 | C99 | H63 | 60.3° | 60.0° |
| H58 | C97 | C99 | H64 | 179.7° | 60.0° |
| H59 | C98 | H60 | H61 | 120.0° | 120.0° |
| H62 | C99 | H63 | H64 | 120.0° | 120.0° |
| H65 | CA2 | CA4 | H69 | 94.5° | 65.0° |
| H66 | CA2 | CA4 | H69 | 25.6° | 54.9° |
| H67 | CA3 | CA5 | H70 | 139.8° | 180.0° |
| H67 | CA3 | CA5 | H71 | 99.2° | 60.0° |
| H68 | CA3 | CA5 | H70 | 19.1° | 60.1° |
| H68 | CA3 | CA5 | H71 | 140.1° | 180.0° |
| H69 | CA4 | CA6 | H72 | 45.4° | 60.1° |
| H69 | CA4 | CA6 | H73 | 167.4° | 180.0° |
| H70 | CA5 | CA7 | H74 | 37.7° | 180.0° |
| H70 | CA5 | CA7 | H75 | 81.7° | 60.0° |
| H71 | CA5 | CA7 | H74 | 158.7° | 60.1° |
| H71 | CA5 | CA7 | H75 | 39.3° | 180.0° |
| H74 | CA7 | CA8 | H76 | 156.6° | 180.0° |
| H74 | CA7 | CA8 | H77 | 35.3° | 60.0° |
| H75 | CA7 | CA8 | H76 | 84.0° | 59.9° |
| H75 | CA7 | CA8 | H77 | 154.7° | 180.0° |
| H76 | CA8 | CA9 | H78 | 155.6° | 180.0° |
| H76 | CA8 | CA9 | H79 | 86.5° | 60.0° |
| H77 | CA8 | CA9 | H78 | 34.3° | 60.0° |
| H77 | CA8 | CA9 | H79 | 152.2° | 180.0° |
| H78 | CA9 | CB2 | H80 | 179.2° | 180.0° |
| H78 | CA9 | CB2 | H81 | 58.4° | 60.0° |
| H79 | CA9 | CB2 | H80 | 61.2° | 60.0° |
| H79 | CA9 | CB2 | H81 | 176.4° | 180.0° |
| H80 | CB2 | CB3 | H82 | 171.2° | 180.0° |
| H80 | CB2 | CB3 | H83 | 52.7° | 60.0° |
| H81 | CB2 | CB3 | H82 | 66.4° | 60.0° |
| H81 | CB2 | CB3 | H83 | 175.1° | 180.0° |
| H82 | CB3 | CB4 | H84 | 70.5° | 60.0° |
| H82 | CB3 | CB4 | H85 | 170.0° | 180.0° |
| H83 | CB3 | CB4 | H84 | 48.0° | 180.0° |
| H83 | CB3 | CB4 | H85 | 71.5° | 60.0° |
