YRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C14 | doub | 1.21Å | 1.18Å | |
| C15 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C14 | N04 | sing | 1.36Å | 1.50Å | |
| C23 | N04 | sing | 1.47Å | 1.48Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | N03 | sing | 1.48Å | 1.46Å | |
| N04 | C17 | sing | 1.48Å | 1.48Å | |
| C16 | N03 | sing | 1.47Å | 1.45Å | |
| N03 | C08 | sing | 1.37Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | O09 | sing | 1.43Å | 1.39Å | |
| C08 | O03 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.50Å | 1.52Å | |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C38 | C27 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C18 | O05 | doub | 1.21Å | 1.18Å | |
| C18 | N05 | sing | 1.37Å | 1.48Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C07 | N02 | sing | 1.48Å | 1.47Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| N05 | C24 | sing | 1.48Å | 1.45Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| N02 | C02 | sing | 1.37Å | 1.50Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C02 | C01 | sing | 1.50Å | 1.54Å | |
| O02 | C03 | sing | 1.43Å | 1.39Å | |
| C25 | O06 | doub | 1.21Å | 1.17Å | |
| C25 | N06 | sing | 1.36Å | 1.51Å | |
| C03 | C01 | sing | 1.53Å | 1.50Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C01 | N01 | sing | 1.48Å | 1.46Å | |
| C32 | N06 | sing | 1.47Å | 1.47Å | |
| N06 | C29 | sing | 1.47Å | 1.47Å | |
| N01 | C34 | sing | 1.36Å | 1.49Å | |
| C04 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.50Å | |
| O07 | C30 | doub | 1.21Å | 1.17Å | |
| C30 | N07 | sing | 1.35Å | 1.52Å | |
| C34 | O08 | doub | 1.21Å | 1.17Å | |
| C34 | C33 | sing | 1.49Å | 1.55Å | |
| N07 | C36 | sing | 1.47Å | 1.46Å | |
| N07 | C33 | sing | 1.47Å | 1.45Å | |
| C36 | C40 | sing | 1.53Å | 1.56Å | |
| C33 | C35 | sing | 1.54Å | 1.50Å | |
| C40 | C39 | sing | 1.52Å | 1.55Å | |
| C35 | C39 | sing | 1.52Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N02 | H3 | sing | 0.97Å | 1.00Å | |
| O02 | H4 | sing | 0.97Å | 0.95Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.10Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| O09 | H71 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C14 | C13 | 119.9° | 120.4° |
| O04 | C14 | N04 | 119.6° | 120.3° |
| C15 | C13 | C14 | 109.0° | 109.7° |
| C15 | C13 | N03 | 108.2° | 109.6° |
| C15 | C13 | H24 | 109.5° | 109.5° |
| C13 | C15 | H25 | 109.5° | 109.5° |
| C13 | C15 | H26 | 109.5° | 109.5° |
| C13 | C15 | H27 | 109.5° | 109.5° |
| C13 | C14 | N04 | 120.5° | 119.2° |
| C14 | C13 | N03 | 111.0° | 108.9° |
| C14 | C13 | H24 | 109.0° | 109.5° |
| C14 | N04 | C23 | 117.5° | 121.8° |
| C14 | N04 | C17 | 119.4° | 116.4° |
| C23 | N04 | C17 | 123.1° | 121.8° |
| N04 | C23 | H40 | 109.5° | 109.5° |
| N04 | C23 | H41 | 109.4° | 109.5° |
| N04 | C23 | H42 | 109.5° | 109.5° |
| C22 | C20 | C19 | 108.7° | 109.4° |
| C22 | C20 | C21 | 108.8° | 109.5° |
| C22 | C20 | H33 | 110.3° | 109.4° |
| C20 | C22 | H37 | 109.5° | 109.4° |
| C20 | C22 | H38 | 109.5° | 109.4° |
| C20 | C22 | H39 | 109.5° | 109.4° |
| C13 | N03 | C16 | 120.9° | 122.5° |
| C13 | N03 | C08 | 118.6° | 114.9° |
| N03 | C13 | H24 | 110.1° | 109.6° |
| N04 | C17 | C19 | 114.0° | 109.5° |
| N04 | C17 | C18 | 110.2° | 108.9° |
| N04 | C17 | H31 | 107.0° | 109.6° |
| C16 | N03 | C08 | 120.5° | 122.6° |
| N03 | C16 | H28 | 109.5° | 109.5° |
| N03 | C16 | H29 | 109.4° | 109.5° |
| N03 | C16 | H30 | 109.5° | 109.5° |
| N03 | C08 | O03 | 119.2° | 120.7° |
| N03 | C08 | C07 | 121.9° | 118.7° |
| C19 | C20 | C21 | 108.7° | 109.5° |
| C20 | C19 | C17 | 112.5° | 109.5° |
| C20 | C19 | O09 | 109.6° | 109.4° |
| C20 | C19 | H32 | 108.0° | 109.5° |
| C19 | C20 | H33 | 110.2° | 109.5° |
| C21 | C20 | H33 | 110.2° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.4° | 109.5° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| C19 | C17 | C18 | 112.0° | 109.6° |
| C17 | C19 | O09 | 108.5° | 109.4° |
| C19 | C17 | H31 | 106.7° | 109.5° |
| C17 | C19 | H32 | 108.4° | 109.5° |
| C17 | C18 | O05 | 124.2° | 120.5° |
| C17 | C18 | N05 | 114.2° | 118.9° |
| C18 | C17 | H31 | 106.4° | 109.7° |
| O09 | C19 | H32 | 110.0° | 109.5° |
| C19 | O09 | H71 | 109.5° | 114.0° |
| O03 | C08 | C07 | 118.9° | 120.6° |
| C08 | C07 | C09 | 108.5° | 109.8° |
| C08 | C07 | N02 | 105.7° | 108.7° |
| C08 | C07 | H14 | 110.5° | 109.6° |
| C11 | C09 | C07 | 110.3° | 109.5° |
| C11 | C09 | C10 | 108.9° | 109.5° |
| C11 | C09 | H15 | 109.0° | 109.5° |
| C09 | C11 | H18 | 109.5° | 109.4° |
| C09 | C11 | H19 | 109.5° | 109.5° |
| C09 | C11 | H20 | 109.5° | 109.5° |
| C07 | C09 | C10 | 111.1° | 109.5° |
| C09 | C07 | N02 | 110.2° | 109.6° |
| C09 | C07 | H14 | 110.4° | 109.6° |
| C07 | C09 | H15 | 108.8° | 109.5° |
| C09 | C10 | C12 | 108.5° | 109.5° |
| C10 | C09 | H15 | 108.7° | 109.4° |
| C09 | C10 | H16 | 109.7° | 109.5° |
| C09 | C10 | H17 | 109.7° | 109.5° |
| C27 | C38 | C37 | 110.8° | 109.5° |
| C38 | C27 | C28 | 112.1° | 109.4° |
| C38 | C27 | C26 | 110.1° | 109.5° |
| C38 | C27 | H46 | 108.9° | 109.5° |
| C27 | C38 | H65 | 109.1° | 109.5° |
| C27 | C38 | H66 | 109.1° | 109.5° |
| C38 | C37 | H62 | 109.5° | 109.4° |
| C38 | C37 | H63 | 109.5° | 109.5° |
| C38 | C37 | H64 | 109.4° | 109.5° |
| C37 | C38 | H65 | 109.2° | 109.4° |
| C37 | C38 | H66 | 109.2° | 109.5° |
| O05 | C18 | N05 | 121.6° | 120.5° |
| C18 | N05 | C24 | 121.5° | 115.1° |
| C18 | N05 | H10 | 119.2° | 122.5° |
| C28 | C27 | C26 | 107.9° | 109.4° |
| C28 | C27 | H46 | 109.1° | 109.5° |
| C27 | C28 | H47 | 109.5° | 109.5° |
| C27 | C28 | H48 | 109.5° | 109.5° |
| C27 | C28 | H49 | 109.5° | 109.5° |
| C27 | C26 | C24 | 107.4° | 109.5° |
| C27 | C26 | H44 | 110.0° | 109.5° |
| C27 | C26 | H45 | 110.0° | 109.5° |
| C26 | C27 | H46 | 108.6° | 109.5° |
| C07 | N02 | C02 | 119.2° | 116.0° |
| C07 | N02 | H3 | 120.4° | 122.0° |
| N02 | C07 | H14 | 111.3° | 109.6° |
| C12 | C10 | H16 | 109.7° | 109.5° |
| C12 | C10 | H17 | 109.7° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.4° | 109.5° |
| C10 | C12 | H23 | 109.5° | 109.5° |
| N05 | C24 | C26 | 104.1° | 109.6° |
| N05 | C24 | C25 | 111.7° | 109.2° |
| C24 | N05 | H10 | 119.3° | 122.4° |
| N05 | C24 | H43 | 111.5° | 109.5° |
| C26 | C24 | C25 | 108.5° | 109.5° |
| C26 | C24 | H43 | 110.4° | 109.5° |
| C24 | C26 | H44 | 110.0° | 109.5° |
| C24 | C26 | H45 | 110.0° | 109.5° |
| C24 | C25 | O06 | 119.8° | 120.5° |
| C24 | C25 | N06 | 120.2° | 119.0° |
| C25 | C24 | H43 | 110.4° | 109.5° |
| N02 | C02 | O01 | 121.0° | 120.9° |
| N02 | C02 | C01 | 117.8° | 118.3° |
| C02 | N02 | H3 | 120.4° | 122.0° |
| O01 | C02 | C01 | 121.1° | 120.8° |
| C02 | C01 | C03 | 105.7° | 109.2° |
| C02 | C01 | N01 | 114.1° | 110.2° |
| C02 | C01 | H1 | 109.6° | 109.3° |
| O02 | C03 | C01 | 109.0° | 109.5° |
| O02 | C03 | C04 | 111.3° | 109.5° |
| C03 | O02 | H4 | 109.5° | 114.0° |
| O02 | C03 | H5 | 110.6° | 109.5° |
| O06 | C25 | N06 | 119.9° | 120.5° |
| C25 | N06 | C32 | 122.6° | 121.8° |
| C25 | N06 | C29 | 115.3° | 116.5° |
| C01 | C03 | C04 | 108.5° | 109.4° |
| C03 | C01 | N01 | 106.2° | 109.4° |
| C03 | C01 | H1 | 110.2° | 109.4° |
| C01 | C03 | H5 | 109.0° | 109.5° |
| C03 | C04 | C06 | 110.6° | 109.4° |
| C03 | C04 | C05 | 108.4° | 109.5° |
| C04 | C03 | H5 | 108.3° | 109.5° |
| C03 | C04 | H6 | 109.1° | 109.5° |
| C01 | N01 | C34 | 119.8° | 115.9° |
| N01 | C01 | H1 | 110.8° | 109.4° |
| C01 | N01 | H2 | 120.1° | 122.1° |
| C32 | N06 | C29 | 122.1° | 121.7° |
| N06 | C32 | H54 | 109.5° | 109.5° |
| N06 | C32 | H55 | 109.5° | 109.4° |
| N06 | C32 | H56 | 109.5° | 109.4° |
| N06 | C29 | C30 | 100.4° | 109.9° |
| N06 | C29 | C31 | 112.3° | 109.4° |
| N06 | C29 | H50 | 111.9° | 109.4° |
| N01 | C34 | O08 | 120.9° | 118.7° |
| N01 | C34 | C33 | 120.2° | 122.6° |
| C34 | N01 | H2 | 120.1° | 122.0° |
| C06 | C04 | C05 | 110.0° | 109.4° |
| C06 | C04 | H6 | 109.4° | 109.5° |
| C04 | C06 | H11 | 109.5° | 109.5° |
| C04 | C06 | H12 | 109.5° | 109.5° |
| C04 | C06 | H13 | 109.5° | 109.5° |
| C05 | C04 | H6 | 109.3° | 109.5° |
| C04 | C05 | H7 | 109.5° | 109.5° |
| C04 | C05 | H8 | 109.4° | 109.5° |
| C04 | C05 | H9 | 109.4° | 109.4° |
| C30 | C29 | C31 | 109.5° | 109.3° |
| C29 | C30 | O07 | 117.4° | 120.7° |
| C29 | C30 | N07 | 123.9° | 118.6° |
| C30 | C29 | H50 | 110.9° | 109.4° |
| C31 | C29 | H50 | 111.4° | 109.3° |
| C29 | C31 | H51 | 109.5° | 109.5° |
| C29 | C31 | H52 | 109.5° | 109.4° |
| C29 | C31 | H53 | 109.4° | 109.4° |
| O07 | C30 | N07 | 118.7° | 120.7° |
| C30 | N07 | C36 | 121.6° | 119.4° |
| C30 | N07 | C33 | 117.4° | 121.4° |
| O08 | C34 | C33 | 119.0° | 118.7° |
| C34 | C33 | N07 | 107.9° | 112.2° |
| C34 | C33 | C35 | 108.3° | 109.9° |
| C34 | C33 | H57 | 109.2° | 109.2° |
| C36 | N07 | C33 | 121.0° | 119.1° |
| N07 | C36 | C40 | 111.0° | 108.8° |
| N07 | C36 | H60 | 109.1° | 109.6° |
| N07 | C36 | H61 | 109.1° | 109.6° |
| N07 | C33 | C35 | 110.7° | 108.9° |
| N07 | C33 | H57 | 110.7° | 108.4° |
| C36 | C40 | C39 | 111.4° | 112.4° |
| C40 | C36 | H60 | 109.1° | 109.6° |
| C40 | C36 | H61 | 109.1° | 109.6° |
| C36 | C40 | H69 | 109.0° | 108.9° |
| C36 | C40 | H70 | 109.0° | 109.0° |
| C33 | C35 | C39 | 112.6° | 109.3° |
| C35 | C33 | H57 | 109.9° | 108.0° |
| C33 | C35 | H58 | 108.7° | 109.5° |
| C33 | C35 | H59 | 108.7° | 109.5° |
| C40 | C39 | C35 | 107.4° | 112.7° |
| C40 | C39 | H67 | 110.0° | 108.8° |
| C40 | C39 | H68 | 110.0° | 108.7° |
| C39 | C40 | H69 | 109.0° | 108.8° |
| C39 | C40 | H70 | 109.0° | 108.9° |
| C39 | C35 | H58 | 108.7° | 109.5° |
| C39 | C35 | H59 | 108.7° | 109.5° |
| C35 | C39 | H67 | 110.0° | 108.8° |
| C35 | C39 | H68 | 110.0° | 108.8° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H7 | C05 | H9 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H11 | C06 | H13 | 109.4° | 109.4° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H20 | 109.4° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H23 | 109.4° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H25 | C15 | H27 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.4° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H34 | C21 | H36 | 109.5° | 109.4° |
| H35 | C21 | H36 | 109.5° | 109.4° |
| H37 | C22 | H38 | 109.4° | 109.5° |
| H37 | C22 | H39 | 109.5° | 109.5° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H40 | C23 | H42 | 109.5° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.4° | 109.5° |
| H47 | C28 | H48 | 109.5° | 109.4° |
| H47 | C28 | H49 | 109.5° | 109.5° |
| H48 | C28 | H49 | 109.4° | 109.5° |
| H51 | C31 | H52 | 109.4° | 109.5° |
| H51 | C31 | H53 | 109.5° | 109.5° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.4° | 109.5° |
| H54 | C32 | H56 | 109.5° | 109.5° |
| H55 | C32 | H56 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.5° |
| H60 | C36 | H61 | 109.5° | 109.7° |
| H62 | C37 | H63 | 109.4° | 109.4° |
| H62 | C37 | H64 | 109.5° | 109.5° |
| H63 | C37 | H64 | 109.5° | 109.5° |
| H65 | C38 | H66 | 109.5° | 109.5° |
| H67 | C39 | H68 | 109.5° | 108.8° |
| H69 | C40 | H70 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C14 | C13 | C15 | 20.0° | 65.2° |
| O04 | C14 | C13 | N04 | 179.2° | 179.9° |
| O04 | C14 | N04 | C23 | 1.0° | 178.8° |
| O04 | C14 | C13 | N03 | 99.1° | 54.7° |
| O04 | C14 | N04 | C17 | 179.9° | 1.2° |
| O04 | C14 | C13 | H24 | 139.4° | 174.5° |
| C15 | C13 | C14 | N03 | 119.0° | 119.9° |
| C15 | C13 | C14 | H24 | 119.5° | 120.3° |
| C15 | C13 | C14 | N04 | 159.2° | 114.7° |
| C15 | C13 | N03 | H24 | 119.6° | 120.2° |
| C15 | C13 | N03 | C16 | 85.3° | 8.7° |
| C15 | C13 | N03 | C08 | 93.8° | 171.2° |
| C13 | C15 | H25 | H26 | 120.0° | 120.0° |
| C13 | C15 | H25 | H27 | 120.0° | 120.1° |
| C13 | C15 | H26 | H27 | 120.0° | 120.1° |
| C13 | C14 | N04 | C23 | 179.8° | 1.3° |
| C14 | C13 | N03 | H24 | 120.8° | 119.8° |
| C13 | C14 | N04 | C17 | 0.7° | 178.7° |
| C14 | C13 | N03 | C16 | 34.3° | 111.3° |
| C14 | C13 | N03 | C08 | 146.6° | 68.8° |
| C14 | C13 | C15 | H25 | 180.0° | 59.4° |
| C14 | C13 | C15 | H26 | 60.0° | 60.5° |
| C14 | C13 | C15 | H27 | 60.0° | 179.5° |
| C14 | N04 | C23 | C17 | 179.0° | 180.0° |
| N04 | C14 | C13 | N03 | 81.7° | 125.3° |
| C14 | N04 | C17 | C19 | 93.8° | 15.6° |
| C14 | N04 | C17 | C18 | 139.3° | 135.4° |
| N04 | C14 | C13 | H24 | 39.8° | 5.6° |
| C14 | N04 | C17 | H31 | 24.0° | 104.5° |
| C14 | N04 | C23 | H40 | 180.0° | 90.0° |
| C14 | N04 | C23 | H41 | 60.0° | 30.0° |
| C14 | N04 | C23 | H42 | 60.0° | 150.0° |
| C23 | N04 | C17 | C19 | 87.2° | 164.4° |
| C23 | N04 | C17 | C18 | 39.7° | 44.5° |
| C23 | N04 | C17 | H31 | 155.0° | 75.5° |
| N04 | C23 | H40 | H41 | 120.0° | 120.0° |
| N04 | C23 | H40 | H42 | 120.0° | 120.0° |
| N04 | C23 | H41 | H42 | 120.0° | 120.0° |
| C22 | C20 | C19 | C21 | 118.2° | 120.0° |
| C22 | C20 | C19 | H33 | 120.9° | 120.0° |
| C22 | C20 | C21 | H33 | 121.0° | 120.0° |
| C22 | C20 | C19 | C17 | 92.1° | 48.8° |
| C22 | C20 | C19 | O09 | 147.2° | 168.7° |
| C22 | C20 | C19 | H32 | 27.4° | 71.3° |
| C22 | C20 | C21 | H34 | 180.0° | 60.0° |
| C22 | C20 | C21 | H35 | 60.0° | 60.0° |
| C22 | C20 | C21 | H36 | 60.0° | 180.0° |
| C20 | C22 | H37 | H38 | 120.0° | 120.0° |
| C20 | C22 | H37 | H39 | 120.0° | 120.0° |
| C20 | C22 | H38 | H39 | 120.0° | 119.9° |
| C13 | N03 | C16 | C08 | 179.1° | 180.0° |
| C13 | N03 | C08 | O03 | 0.8° | 2.3° |
| C13 | N03 | C08 | C07 | 179.5° | 177.8° |
| N03 | C13 | C15 | H25 | 59.2° | 60.1° |
| N03 | C13 | C15 | H26 | 60.8° | 180.0° |
| N03 | C13 | C15 | H27 | 179.2° | 60.0° |
| C13 | N03 | C16 | H28 | 180.0° | 124.1° |
| C13 | N03 | C16 | H29 | 60.0° | 4.1° |
| C13 | N03 | C16 | H30 | 60.0° | 115.9° |
| N04 | C17 | C19 | C20 | 47.0° | 66.3° |
| N04 | C17 | C19 | C18 | 126.0° | 119.4° |
| N04 | C17 | C19 | H31 | 118.0° | 120.2° |
| N04 | C17 | C18 | H31 | 115.7° | 119.9° |
| N04 | C17 | C19 | O09 | 168.4° | 173.7° |
| N04 | C17 | C18 | O05 | 80.1° | 54.3° |
| N04 | C17 | C18 | N05 | 100.0° | 125.7° |
| N04 | C17 | C19 | H32 | 72.2° | 53.7° |
| C17 | N04 | C23 | H40 | 1.0° | 90.0° |
| C17 | N04 | C23 | H41 | 121.0° | 150.0° |
| C17 | N04 | C23 | H42 | 119.0° | 30.0° |
| C16 | N03 | C08 | O03 | 179.9° | 177.8° |
| C16 | N03 | C08 | C07 | 0.4° | 2.2° |
| C16 | N03 | C13 | H24 | 155.1° | 129.0° |
| N03 | C16 | H28 | H29 | 120.0° | 120.1° |
| N03 | C16 | H28 | H30 | 120.0° | 120.0° |
| N03 | C16 | H29 | H30 | 120.0° | 120.0° |
| N03 | C08 | O03 | C07 | 179.6° | 179.9° |
| N03 | C08 | C07 | C09 | 94.8° | 23.2° |
| N03 | C08 | C07 | N02 | 147.0° | 143.0° |
| N03 | C08 | C07 | H14 | 26.5° | 97.3° |
| C08 | N03 | C13 | H24 | 25.8° | 51.0° |
| C08 | N03 | C16 | H28 | 0.9° | 55.9° |
| C08 | N03 | C16 | H29 | 120.9° | 175.9° |
| C08 | N03 | C16 | H30 | 119.1° | 64.1° |
| C19 | C20 | C21 | H33 | 120.8° | 120.1° |
| C20 | C19 | C17 | O09 | 121.3° | 120.0° |
| C20 | C19 | C17 | H32 | 119.3° | 120.0° |
| C20 | C19 | C17 | C18 | 78.9° | 53.0° |
| C20 | C19 | O09 | H32 | 118.5° | 120.0° |
| C20 | C19 | C17 | H31 | 165.0° | 173.5° |
| C19 | C20 | C21 | H34 | 61.8° | 59.9° |
| C19 | C20 | C21 | H35 | 58.2° | 180.0° |
| C19 | C20 | C21 | H36 | 178.2° | 60.0° |
| C19 | C20 | C22 | H37 | 180.0° | 50.8° |
| C19 | C20 | C22 | H38 | 60.0° | 170.8° |
| C19 | C20 | C22 | H39 | 60.0° | 69.2° |
| C20 | C19 | O09 | H71 | 77.2° | 65.5° |
| C21 | C20 | C19 | C17 | 149.6° | 168.8° |
| C21 | C20 | C19 | O09 | 28.9° | 71.3° |
| C21 | C20 | C19 | H32 | 90.9° | 48.7° |
| C20 | C21 | H34 | H35 | 120.0° | 120.1° |
| C20 | C21 | H34 | H36 | 120.0° | 120.0° |
| C20 | C21 | H35 | H36 | 120.0° | 120.0° |
| C21 | C20 | C22 | H37 | 61.8° | 170.8° |
| C21 | C20 | C22 | H38 | 58.2° | 69.2° |
| C21 | C20 | C22 | H39 | 178.2° | 50.8° |
| C19 | C17 | C18 | H31 | 116.3° | 120.3° |
| C17 | C19 | O09 | H32 | 118.4° | 120.1° |
| C19 | C17 | C18 | O05 | 47.9° | 174.1° |
| C19 | C17 | C18 | N05 | 131.9° | 6.0° |
| C17 | C19 | C20 | H33 | 28.8° | 71.2° |
| C17 | C19 | O09 | H71 | 45.9° | 54.5° |
| C18 | C17 | C19 | O09 | 42.4° | 66.9° |
| C17 | C18 | O05 | N05 | 179.8° | 180.0° |
| C17 | C18 | N05 | C24 | 178.9° | 178.9° |
| C17 | C18 | N05 | H10 | 1.1° | 1.0° |
| C18 | C17 | C19 | H32 | 161.8° | 173.1° |
| O09 | C19 | C17 | H31 | 73.7° | 53.5° |
| O09 | C19 | C20 | H33 | 91.9° | 48.8° |
| O03 | C08 | C07 | C09 | 85.6° | 156.9° |
| O03 | C08 | C07 | N02 | 32.6° | 37.0° |
| O03 | C08 | C07 | H14 | 153.2° | 82.7° |
| C08 | C07 | C09 | C11 | 54.2° | 56.3° |
| C08 | C07 | C09 | N02 | 115.3° | 119.2° |
| C08 | C07 | C09 | H14 | 121.3° | 120.4° |
| C08 | C07 | C09 | C10 | 175.1° | 176.3° |
| C08 | C07 | N02 | H14 | 120.0° | 119.8° |
| C08 | C07 | N02 | C02 | 59.2° | 108.3° |
| C08 | C07 | N02 | H3 | 120.8° | 71.6° |
| C08 | C07 | C09 | H15 | 65.3° | 63.7° |
| C11 | C09 | C07 | C10 | 120.9° | 120.0° |
| C11 | C09 | C07 | H15 | 119.5° | 120.0° |
| C11 | C09 | C10 | H15 | 118.6° | 120.0° |
| C11 | C09 | C07 | N02 | 61.1° | 62.9° |
| C11 | C09 | C10 | C12 | 157.9° | 42.2° |
| C11 | C09 | C07 | H14 | 175.5° | 176.8° |
| C11 | C09 | C10 | H16 | 38.1° | 77.8° |
| C11 | C09 | C10 | H17 | 82.3° | 162.2° |
| C09 | C11 | H18 | H19 | 120.0° | 120.0° |
| C09 | C11 | H18 | H20 | 120.0° | 120.0° |
| C09 | C11 | H19 | H20 | 120.0° | 120.0° |
| C07 | C09 | C10 | H15 | 119.6° | 120.0° |
| C09 | C07 | N02 | H14 | 122.9° | 120.3° |
| C07 | C09 | C10 | C12 | 80.3° | 162.2° |
| C09 | C07 | N02 | C02 | 176.3° | 131.8° |
| C09 | C07 | N02 | H3 | 3.7° | 48.3° |
| C07 | C09 | C10 | H16 | 159.8° | 42.2° |
| C07 | C09 | C10 | H17 | 39.5° | 77.8° |
| C07 | C09 | C11 | H18 | 180.0° | 180.0° |
| C07 | C09 | C11 | H19 | 60.0° | 60.0° |
| C07 | C09 | C11 | H20 | 60.0° | 60.0° |
| C10 | C09 | C07 | N02 | 59.8° | 57.1° |
| C09 | C10 | C12 | H16 | 119.8° | 120.0° |
| C09 | C10 | C12 | H17 | 119.8° | 120.0° |
| C10 | C09 | C07 | H14 | 63.6° | 63.2° |
| C09 | C10 | H16 | H17 | 120.5° | 120.0° |
| C10 | C09 | C11 | H18 | 57.8° | 60.0° |
| C10 | C09 | C11 | H19 | 177.8° | 180.0° |
| C10 | C09 | C11 | H20 | 62.1° | 60.0° |
| C09 | C10 | C12 | H21 | 180.0° | 180.0° |
| C09 | C10 | C12 | H22 | 60.0° | 60.0° |
| C09 | C10 | C12 | H23 | 60.0° | 60.0° |
| C27 | C38 | C37 | H65 | 120.2° | 120.0° |
| C27 | C38 | C37 | H66 | 120.2° | 120.0° |
| C38 | C27 | C28 | C26 | 121.5° | 120.0° |
| C38 | C27 | C28 | H46 | 120.7° | 120.0° |
| C38 | C27 | C26 | H46 | 119.2° | 120.1° |
| C38 | C27 | C26 | C24 | 75.7° | 176.9° |
| C38 | C27 | C26 | H44 | 44.0° | 63.2° |
| C38 | C27 | C26 | H45 | 164.6° | 56.8° |
| C38 | C27 | C28 | H47 | 180.0° | 55.1° |
| C38 | C27 | C28 | H48 | 60.0° | 175.0° |
| C38 | C27 | C28 | H49 | 60.0° | 64.9° |
| C27 | C38 | C37 | H62 | 180.0° | 59.9° |
| C27 | C38 | C37 | H63 | 60.0° | 60.0° |
| C27 | C38 | C37 | H64 | 60.0° | 180.0° |
| C27 | C38 | H65 | H66 | 119.4° | 120.0° |
| C37 | C38 | C27 | C28 | 51.0° | 65.0° |
| C37 | C38 | C27 | C26 | 69.1° | 175.0° |
| C37 | C38 | C27 | H46 | 171.9° | 55.0° |
| C38 | C37 | H62 | H63 | 120.0° | 120.0° |
| C38 | C37 | H62 | H64 | 120.0° | 120.0° |
| C38 | C37 | H63 | H64 | 120.0° | 120.0° |
| C37 | C38 | H65 | H66 | 119.4° | 120.0° |
| O05 | C18 | N05 | C24 | 1.3° | 1.0° |
| O05 | C18 | N05 | H10 | 178.7° | 179.0° |
| O05 | C18 | C17 | H31 | 164.1° | 65.6° |
| C18 | N05 | C24 | H10 | 180.0° | 180.0° |
| C18 | N05 | C24 | C26 | 155.1° | 95.8° |
| C18 | N05 | C24 | C25 | 88.0° | 144.3° |
| N05 | C18 | C17 | H31 | 15.7° | 114.4° |
| C18 | N05 | C24 | H43 | 36.0° | 24.3° |
| C28 | C27 | C26 | H46 | 118.1° | 120.0° |
| C28 | C27 | C26 | C24 | 161.6° | 63.2° |
| C28 | C27 | C26 | H44 | 78.7° | 56.8° |
| C28 | C27 | C26 | H45 | 41.9° | 176.8° |
| C27 | C28 | H47 | H48 | 120.0° | 119.9° |
| C27 | C28 | H47 | H49 | 120.0° | 120.0° |
| C27 | C28 | H48 | H49 | 120.0° | 120.0° |
| C28 | C27 | C38 | H65 | 171.2° | 54.9° |
| C28 | C27 | C38 | H66 | 69.2° | 175.0° |
| C27 | C26 | C24 | N05 | 64.2° | 173.7° |
| C27 | C26 | C24 | H44 | 119.7° | 120.0° |
| C27 | C26 | C24 | H45 | 119.7° | 120.0° |
| C27 | C26 | C24 | C25 | 176.7° | 66.5° |
| C27 | C26 | C24 | H43 | 55.6° | 53.6° |
| C27 | C26 | H44 | H45 | 120.9° | 120.0° |
| C26 | C27 | C28 | H47 | 58.5° | 175.1° |
| C26 | C27 | C28 | H48 | 61.5° | 65.0° |
| C26 | C27 | C28 | H49 | 178.6° | 55.0° |
| C26 | C27 | C38 | H65 | 51.1° | 65.0° |
| C26 | C27 | C38 | H66 | 170.6° | 55.0° |
| C07 | N02 | C02 | H3 | 180.0° | 179.9° |
| C07 | N02 | C02 | O01 | 0.5° | 169.2° |
| C07 | N02 | C02 | C01 | 178.3° | 10.8° |
| N02 | C07 | C09 | H15 | 179.5° | 177.1° |
| C12 | C10 | C09 | H15 | 39.3° | 77.8° |
| C12 | C10 | H16 | H17 | 120.4° | 120.0° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| C10 | C12 | H21 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| N05 | C24 | C26 | C25 | 119.1° | 119.7° |
| N05 | C24 | C26 | H43 | 119.8° | 120.1° |
| N05 | C24 | C25 | H43 | 124.7° | 119.9° |
| N05 | C24 | C25 | O06 | 10.8° | 65.6° |
| N05 | C24 | C25 | N06 | 168.7° | 114.2° |
| N05 | C24 | C26 | H44 | 176.1° | 53.7° |
| N05 | C24 | C26 | H45 | 55.5° | 66.3° |
| C26 | C24 | C25 | H43 | 121.1° | 120.1° |
| C26 | C24 | C25 | O06 | 103.5° | 54.3° |
| C26 | C24 | C25 | N06 | 77.0° | 125.8° |
| C26 | C24 | N05 | H10 | 24.9° | 84.1° |
| C24 | C26 | H44 | H45 | 121.0° | 120.0° |
| C24 | C26 | C27 | H46 | 43.5° | 56.8° |
| C24 | C25 | O06 | N06 | 179.5° | 179.9° |
| C24 | C25 | N06 | C32 | 1.7° | 6.1° |
| C24 | C25 | N06 | C29 | 178.4° | 173.7° |
| C25 | C24 | N05 | H10 | 92.0° | 35.8° |
| C25 | C24 | C26 | H44 | 57.0° | 173.4° |
| C25 | C24 | C26 | H45 | 63.6° | 53.5° |
| N02 | C02 | O01 | C01 | 177.7° | 180.0° |
| N02 | C02 | C01 | C03 | 108.5° | 88.0° |
| N02 | C02 | C01 | N01 | 135.2° | 151.8° |
| N02 | C02 | C01 | H1 | 10.3° | 31.6° |
| C02 | N02 | C07 | H14 | 60.8° | 11.4° |
| O01 | C02 | C01 | C03 | 69.3° | 92.0° |
| O01 | C02 | C01 | N01 | 47.0° | 28.2° |
| O01 | C02 | C01 | H1 | 171.9° | 148.4° |
| O01 | C02 | N02 | H3 | 179.5° | 10.7° |
| C02 | C01 | C03 | O02 | 44.8° | 63.4° |
| C02 | C01 | C03 | N01 | 121.5° | 120.6° |
| C02 | C01 | C03 | H1 | 118.4° | 119.6° |
| C02 | C01 | C03 | C04 | 166.2° | 176.7° |
| C02 | C01 | N01 | H1 | 124.3° | 120.2° |
| C02 | C01 | N01 | C34 | 122.4° | 111.3° |
| C02 | C01 | N01 | H2 | 57.6° | 68.8° |
| C01 | C02 | N02 | H3 | 1.7° | 169.3° |
| C02 | C01 | C03 | H5 | 76.0° | 56.7° |
| O02 | C03 | C01 | C04 | 121.4° | 120.0° |
| O02 | C03 | C01 | H5 | 120.8° | 120.1° |
| O02 | C03 | C04 | H5 | 121.8° | 120.1° |
| O02 | C03 | C01 | N01 | 166.3° | 176.0° |
| O02 | C03 | C04 | C06 | 36.5° | 65.4° |
| O02 | C03 | C04 | C05 | 84.2° | 54.5° |
| O02 | C03 | C01 | H1 | 73.6° | 56.2° |
| O02 | C03 | C04 | H6 | 156.8° | 174.6° |
| O06 | C25 | N06 | C32 | 178.8° | 173.7° |
| O06 | C25 | N06 | C29 | 2.1° | 6.4° |
| O06 | C25 | C24 | H43 | 135.4° | 174.5° |
| C25 | N06 | C32 | C29 | 176.5° | 179.9° |
| C25 | N06 | C29 | C30 | 69.4° | 100.6° |
| C25 | N06 | C29 | C31 | 174.3° | 19.5° |
| N06 | C25 | C24 | H43 | 44.0° | 5.7° |
| C25 | N06 | C29 | H50 | 48.2° | 139.2° |
| C25 | N06 | C32 | H54 | 180.0° | 174.9° |
| C25 | N06 | C32 | H55 | 60.0° | 54.9° |
| C25 | N06 | C32 | H56 | 60.0° | 65.1° |
| C01 | C03 | C04 | H5 | 118.3° | 120.0° |
| C03 | C01 | N01 | H1 | 119.7° | 119.7° |
| C03 | C01 | N01 | C34 | 121.6° | 8.8° |
| C01 | C03 | C04 | C06 | 83.4° | 174.6° |
| C01 | C03 | C04 | C05 | 155.9° | 65.4° |
| C03 | C01 | N01 | H2 | 58.4° | 171.2° |
| C01 | C03 | O02 | H4 | 180.0° | 58.2° |
| C01 | C03 | C04 | H6 | 36.9° | 54.6° |
| C04 | C03 | C01 | N01 | 72.3° | 56.0° |
| C03 | C04 | C06 | C05 | 119.7° | 120.0° |
| C03 | C04 | C06 | H6 | 120.1° | 120.0° |
| C03 | C04 | C05 | H6 | 118.8° | 120.1° |
| C04 | C03 | C01 | H1 | 47.8° | 63.7° |
| C04 | C03 | O02 | H4 | 60.3° | 61.7° |
| C03 | C04 | C05 | H7 | 180.0° | 65.0° |
| C03 | C04 | C05 | H8 | 60.0° | 175.0° |
| C03 | C04 | C05 | H9 | 60.0° | 55.0° |
| C03 | C04 | C06 | H11 | 180.0° | 60.0° |
| C03 | C04 | C06 | H12 | 60.0° | 180.0° |
| C03 | C04 | C06 | H13 | 60.0° | 60.0° |
| C01 | N01 | C34 | H2 | 180.0° | 180.0° |
| C01 | N01 | C34 | O08 | 1.6° | 19.6° |
| C01 | N01 | C34 | C33 | 178.2° | 160.4° |
| N01 | C01 | C03 | H5 | 45.5° | 63.9° |
| C32 | N06 | C29 | C30 | 107.3° | 79.5° |
| C32 | N06 | C29 | C31 | 9.0° | 160.4° |
| C32 | N06 | C29 | H50 | 135.1° | 40.7° |
| N06 | C32 | H54 | H55 | 120.0° | 120.0° |
| N06 | C32 | H54 | H56 | 120.0° | 120.0° |
| N06 | C32 | H55 | H56 | 120.0° | 119.9° |
| N06 | C29 | C30 | C31 | 118.3° | 120.1° |
| N06 | C29 | C30 | H50 | 118.4° | 120.2° |
| N06 | C29 | C31 | H50 | 126.4° | 119.8° |
| N06 | C29 | C30 | O07 | 46.4° | 28.8° |
| N06 | C29 | C30 | N07 | 132.1° | 151.2° |
| N06 | C29 | C31 | H51 | 180.0° | 81.8° |
| N06 | C29 | C31 | H52 | 60.0° | 158.2° |
| N06 | C29 | C31 | H53 | 60.0° | 38.2° |
| C29 | N06 | C32 | H54 | 3.6° | 5.2° |
| C29 | N06 | C32 | H55 | 123.5° | 125.2° |
| C29 | N06 | C32 | H56 | 116.5° | 114.8° |
| N01 | C34 | O08 | C33 | 179.8° | 180.0° |
| N01 | C34 | C33 | N07 | 13.7° | 28.5° |
| N01 | C34 | C33 | C35 | 133.5° | 149.9° |
| C34 | N01 | C01 | H1 | 1.9° | 128.5° |
| N01 | C34 | C33 | H57 | 106.8° | 91.7° |
| C06 | C04 | C05 | H6 | 120.1° | 120.0° |
| C06 | C04 | C03 | H5 | 158.3° | 54.7° |
| C06 | C04 | C05 | H7 | 58.9° | 55.0° |
| C06 | C04 | C05 | H8 | 61.0° | 65.1° |
| C06 | C04 | C05 | H9 | 179.0° | 175.0° |
| C04 | C06 | H11 | H12 | 120.0° | 120.0° |
| C04 | C06 | H11 | H13 | 120.0° | 120.0° |
| C04 | C06 | H12 | H13 | 120.0° | 120.0° |
| C05 | C04 | C03 | H5 | 37.6° | 174.6° |
| C04 | C05 | H7 | H8 | 120.0° | 120.0° |
| C04 | C05 | H7 | H9 | 120.0° | 119.9° |
| C04 | C05 | H8 | H9 | 120.0° | 119.9° |
| C05 | C04 | C06 | H11 | 60.3° | 180.0° |
| C05 | C04 | C06 | H12 | 179.7° | 60.0° |
| C05 | C04 | C06 | H13 | 59.7° | 60.0° |
| C30 | C29 | C31 | H50 | 123.0° | 119.7° |
| C29 | C30 | O07 | N07 | 178.7° | 180.0° |
| C29 | C30 | N07 | C36 | 0.5° | 9.7° |
| C29 | C30 | N07 | C33 | 178.8° | 168.3° |
| C30 | C29 | C31 | H51 | 69.4° | 38.7° |
| C30 | C29 | C31 | H52 | 170.6° | 81.4° |
| C30 | C29 | C31 | H53 | 50.6° | 158.7° |
| C31 | C29 | C30 | O07 | 71.9° | 91.3° |
| C31 | C29 | C30 | N07 | 109.6° | 88.7° |
| C29 | C31 | H51 | H52 | 120.0° | 120.0° |
| C29 | C31 | H51 | H53 | 120.0° | 120.0° |
| C29 | C31 | H52 | H53 | 120.0° | 119.9° |
| O07 | C30 | N07 | C36 | 179.1° | 170.3° |
| O07 | C30 | N07 | C33 | 0.3° | 11.8° |
| O07 | C30 | C29 | H50 | 164.8° | 149.0° |
| C30 | N07 | C33 | C34 | 107.3° | 53.8° |
| C30 | N07 | C36 | C33 | 179.3° | 178.0° |
| C30 | N07 | C36 | C40 | 136.8° | 129.5° |
| C30 | N07 | C33 | C35 | 134.4° | 175.8° |
| N07 | C30 | C29 | H50 | 13.7° | 31.0° |
| C30 | N07 | C33 | H57 | 12.2° | 66.9° |
| C30 | N07 | C36 | H60 | 102.9° | 110.6° |
| C30 | N07 | C36 | H61 | 16.6° | 9.8° |
| O08 | C34 | C33 | N07 | 166.2° | 151.5° |
| O08 | C34 | C33 | C35 | 46.3° | 30.1° |
| O08 | C34 | N01 | H2 | 178.4° | 160.4° |
| O08 | C34 | C33 | H57 | 73.4° | 88.3° |
| C34 | C33 | N07 | C36 | 72.1° | 128.2° |
| C34 | C33 | N07 | C35 | 118.3° | 122.0° |
| C34 | C33 | N07 | H57 | 119.5° | 120.7° |
| C34 | C33 | C35 | H57 | 119.3° | 119.1° |
| C34 | C33 | C35 | C39 | 64.6° | 179.4° |
| C33 | C34 | N01 | H2 | 1.8° | 19.6° |
| C34 | C33 | C35 | H58 | 174.9° | 59.4° |
| C34 | C33 | C35 | H59 | 55.8° | 60.6° |
| N07 | C36 | C40 | H60 | 120.2° | 119.8° |
| N07 | C36 | C40 | H61 | 120.2° | 119.8° |
| C36 | N07 | C33 | C35 | 46.3° | 6.2° |
| N07 | C36 | C40 | C39 | 48.0° | 52.2° |
| C36 | N07 | C33 | H57 | 168.4° | 111.1° |
| N07 | C36 | H60 | H61 | 119.3° | 120.4° |
| N07 | C36 | C40 | H69 | 168.3° | 172.9° |
| N07 | C36 | C40 | H70 | 72.3° | 68.6° |
| C33 | N07 | C36 | C40 | 43.9° | 48.5° |
| N07 | C33 | C35 | H57 | 122.6° | 117.6° |
| N07 | C33 | C35 | C39 | 53.5° | 57.2° |
| N07 | C33 | C35 | H58 | 67.0° | 177.2° |
| N07 | C33 | C35 | H59 | 174.0° | 62.7° |
| C33 | N07 | C36 | H60 | 76.4° | 71.4° |
| C33 | N07 | C36 | H61 | 164.1° | 168.2° |
| C36 | C40 | C39 | H69 | 120.3° | 120.7° |
| C36 | C40 | C39 | H70 | 120.3° | 120.8° |
| C36 | C40 | C39 | C35 | 56.7° | 3.0° |
| C40 | C36 | H60 | H61 | 119.3° | 120.3° |
| C36 | C40 | C39 | H67 | 63.0° | 123.8° |
| C36 | C40 | C39 | H68 | 176.4° | 117.7° |
| C36 | C40 | H69 | H70 | 119.1° | 118.6° |
| C33 | C35 | C39 | C40 | 60.3° | 52.3° |
| C33 | C35 | C39 | H58 | 120.4° | 120.0° |
| C33 | C35 | C39 | H59 | 120.5° | 119.9° |
| C33 | C35 | H58 | H59 | 118.6° | 120.0° |
| C33 | C35 | C39 | H67 | 59.4° | 68.6° |
| C33 | C35 | C39 | H68 | 180.0° | 173.0° |
| C40 | C39 | C35 | H67 | 119.7° | 120.8° |
| C40 | C39 | C35 | H68 | 119.7° | 120.7° |
| C40 | C39 | C35 | H58 | 60.1° | 172.3° |
| C40 | C39 | C35 | H59 | 179.2° | 67.6° |
| C39 | C40 | C36 | H60 | 72.3° | 67.7° |
| C39 | C40 | C36 | H61 | 168.2° | 171.9° |
| C40 | C39 | H67 | H68 | 120.9° | 118.4° |
| C39 | C40 | H69 | H70 | 119.1° | 118.5° |
| C39 | C35 | C33 | H57 | 176.1° | 60.3° |
| C39 | C35 | H58 | H59 | 118.6° | 120.1° |
| C35 | C39 | H67 | H68 | 121.0° | 118.5° |
| C35 | C39 | C40 | H69 | 177.0° | 123.7° |
| C35 | C39 | C40 | H70 | 63.6° | 117.8° |
| H1 | C01 | N01 | H2 | 178.1° | 51.4° |
| H1 | C01 | C03 | H5 | 165.6° | 176.3° |
| H3 | N02 | C07 | H14 | 119.2° | 168.7° |
| H4 | O02 | C03 | H5 | 60.2° | 178.3° |
| H5 | C03 | C04 | H6 | 81.4° | 65.3° |
| H6 | C04 | C05 | H7 | 61.2° | 175.0° |
| H6 | C04 | C05 | H8 | 178.8° | 54.9° |
| H6 | C04 | C05 | H9 | 58.8° | 65.0° |
| H6 | C04 | C06 | H11 | 59.9° | 60.0° |
| H6 | C04 | C06 | H12 | 60.1° | 60.0° |
| H6 | C04 | C06 | H13 | 179.9° | 180.0° |
| H7 | C05 | H8 | H9 | 120.0° | 120.0° |
| H10 | N05 | C24 | H43 | 144.0° | 155.7° |
| H11 | C06 | H12 | H13 | 120.0° | 120.0° |
| H14 | C07 | C09 | H15 | 56.1° | 56.7° |
| H15 | C09 | C10 | H16 | 80.5° | 162.2° |
| H15 | C09 | C10 | H17 | 159.1° | 42.2° |
| H15 | C09 | C11 | H18 | 60.7° | 60.0° |
| H15 | C09 | C11 | H19 | 59.4° | 60.0° |
| H15 | C09 | C11 | H20 | 179.4° | 180.0° |
| H16 | C10 | C12 | H21 | 60.1° | 60.0° |
| H16 | C10 | C12 | H22 | 179.9° | 180.0° |
| H16 | C10 | C12 | H23 | 59.8° | 60.0° |
| H17 | C10 | C12 | H21 | 60.2° | 60.0° |
| H17 | C10 | C12 | H22 | 59.8° | 60.0° |
| H17 | C10 | C12 | H23 | 179.8° | NaN° |
| H18 | C11 | H19 | H20 | 120.0° | 120.0° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| H24 | C13 | C15 | H25 | 60.9° | 179.7° |
| H24 | C13 | C15 | H26 | 179.2° | 59.8° |
| H24 | C13 | C15 | H27 | 59.2° | 60.2° |
| H25 | C15 | H26 | H27 | 120.0° | 120.0° |
| H28 | C16 | H29 | H30 | 120.0° | 119.9° |
| H31 | C17 | C19 | H32 | 45.7° | 66.5° |
| H32 | C19 | C20 | H33 | 148.3° | 168.7° |
| H32 | C19 | O09 | H71 | 164.2° | 174.5° |
| H33 | C20 | C21 | H34 | 59.0° | 180.0° |
| H33 | C20 | C21 | H35 | 179.0° | 59.9° |
| H33 | C20 | C21 | H36 | 61.0° | 60.1° |
| H33 | C20 | C22 | H37 | 59.1° | 69.2° |
| H33 | C20 | C22 | H38 | 179.1° | 50.8° |
| H33 | C20 | C22 | H39 | 60.9° | 170.7° |
| H34 | C21 | H35 | H36 | 120.0° | 119.9° |
| H37 | C22 | H38 | H39 | 120.0° | 120.1° |
| H40 | C23 | H41 | H42 | 120.0° | 120.0° |
| H43 | C24 | C26 | H44 | 64.0° | 66.4° |
| H43 | C24 | C26 | H45 | 175.3° | 173.6° |
| H44 | C26 | C27 | H46 | 163.2° | 176.8° |
| H45 | C26 | C27 | H46 | 76.2° | 63.2° |
| H46 | C27 | C28 | H47 | 59.2° | 64.9° |
| H46 | C27 | C28 | H48 | 179.3° | 55.0° |
| H46 | C27 | C28 | H49 | 60.8° | 175.0° |
| H46 | C27 | C38 | H65 | 67.9° | 174.9° |
| H46 | C27 | C38 | H66 | 51.7° | 65.0° |
| H47 | C28 | H48 | H49 | 120.0° | 120.0° |
| H50 | C29 | C31 | H51 | 53.6° | 158.4° |
| H50 | C29 | C31 | H52 | 66.4° | 38.4° |
| H50 | C29 | C31 | H53 | 173.6° | 81.6° |
| H51 | C31 | H52 | H53 | 120.0° | 120.0° |
| H54 | C32 | H55 | H56 | 120.0° | 120.0° |
| H57 | C33 | C35 | H58 | 55.6° | 59.7° |
| H57 | C33 | C35 | H59 | 63.4° | 179.7° |
| H58 | C35 | C39 | H67 | 179.8° | 51.4° |
| H58 | C35 | C39 | H68 | 59.5° | 67.0° |
| H59 | C35 | C39 | H67 | 61.1° | 171.5° |
| H59 | C35 | C39 | H68 | 59.5° | 53.1° |
| H60 | C36 | C40 | H69 | 48.1° | 53.0° |
| H60 | C36 | C40 | H70 | 167.5° | 171.5° |
| H61 | C36 | C40 | H69 | 71.5° | 67.4° |
| H61 | C36 | C40 | H70 | 47.9° | 51.1° |
| H62 | C37 | H63 | H64 | 120.0° | 120.0° |
| H62 | C37 | C38 | H65 | 59.8° | 180.0° |
| H62 | C37 | C38 | H66 | 59.8° | 60.0° |
| H63 | C37 | C38 | H65 | 179.8° | 60.0° |
| H63 | C37 | C38 | H66 | 60.2° | 180.0° |
| H64 | C37 | C38 | H65 | 60.2° | 60.0° |
| H64 | C37 | C38 | H66 | 179.8° | 60.0° |
| H67 | C39 | C40 | H69 | 57.3° | 115.4° |
| H67 | C39 | C40 | H70 | 176.7° | 3.0° |
| H68 | C39 | C40 | H69 | 63.3° | 3.0° |
| H68 | C39 | C40 | H70 | 56.1° | 121.5° |
