A1H7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | doub | 1.32Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.39Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C04 | C02 | sing | 1.53Å | 1.58Å | |
| N09 | C08 | sing | 1.33Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C08 | N12 | sing | 1.38Å | 1.52Å | |
| C08 | N07 | doub | 1.32Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.32Å | 1.38Å | Aromatic |
| C06 | C36 | sing | 1.51Å | 1.52Å | |
| N12 | C17 | sing | 1.47Å | 1.50Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | N18 | sing | 1.47Å | 1.52Å | |
| N18 | C20 | sing | 1.39Å | 1.46Å | |
| N18 | C19 | sing | 1.46Å | 1.48Å | |
| O27 | C26 | doub | 1.22Å | 1.22Å | |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C20 | N25 | doub | 1.32Å | 1.39Å | Aromatic |
| C26 | C22 | sing | 1.48Å | 1.53Å | |
| C26 | N28 | sing | 1.35Å | 1.42Å | |
| C22 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| N25 | N24 | sing | 1.28Å | 1.30Å | Aromatic |
| C23 | N24 | doub | 1.32Å | 1.37Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | N31 | sing | 1.47Å | 1.51Å | |
| N31 | C32 | sing | 1.48Å | 1.50Å | |
| N31 | C35 | sing | 1.49Å | 1.51Å | |
| C32 | C33 | sing | 1.54Å | 1.54Å | |
| C33 | C34 | sing | 1.55Å | 1.53Å | |
| C35 | C34 | sing | 1.55Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| N28 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 114.5° | 120.4° |
| C11 | C10 | C05 | 121.5° | 120.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.4° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| N09 | C10 | C05 | 124.0° | 119.2° |
| C10 | N09 | C08 | 120.4° | 120.7° |
| C10 | C05 | C04 | 125.0° | 120.8° |
| C10 | C05 | C06 | 112.2° | 118.5° |
| C05 | C04 | C02 | 118.9° | 109.5° |
| C04 | C05 | C06 | 122.8° | 120.7° |
| C05 | C04 | H14 | 107.1° | 109.4° |
| C05 | C04 | H15 | 107.1° | 109.5° |
| C04 | C02 | C01 | 112.8° | 109.5° |
| C04 | C02 | C03 | 115.7° | 109.5° |
| C04 | C02 | H10 | 106.2° | 109.5° |
| C02 | C04 | H14 | 107.1° | 109.5° |
| C02 | C04 | H15 | 107.0° | 109.5° |
| N09 | C08 | N12 | 123.5° | 119.2° |
| N09 | C08 | N07 | 118.8° | 121.6° |
| C05 | C06 | N07 | 124.5° | 119.2° |
| C05 | C06 | C36 | 119.3° | 120.4° |
| C01 | C02 | C03 | 108.4° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C01 | C02 | H10 | 106.6° | 109.5° |
| C03 | C02 | H10 | 106.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.4° | 109.5° |
| N12 | C08 | N07 | 117.7° | 119.2° |
| C08 | N12 | C17 | 118.8° | 111.0° |
| C08 | N12 | C13 | 118.6° | 111.0° |
| C08 | N07 | C06 | 120.1° | 120.7° |
| N07 | C06 | C36 | 116.2° | 120.4° |
| C06 | C36 | H39 | 109.5° | 109.5° |
| C06 | C36 | H40 | 109.5° | 109.5° |
| C06 | C36 | H41 | 109.4° | 109.5° |
| C17 | N12 | C13 | 106.9° | 111.2° |
| N12 | C17 | C16 | 114.4° | 109.5° |
| N12 | C17 | H4 | 108.2° | 109.4° |
| N12 | C17 | H5 | 108.2° | 109.5° |
| N12 | C13 | C14 | 115.0° | 109.5° |
| N12 | C13 | H1 | 108.1° | 109.5° |
| N12 | C13 | H2 | 108.1° | 109.5° |
| C17 | C16 | C15 | 114.3° | 109.3° |
| C16 | C17 | H4 | 108.2° | 109.5° |
| C16 | C17 | H5 | 108.2° | 109.5° |
| C17 | C16 | H21 | 108.2° | 109.5° |
| C17 | C16 | H22 | 108.2° | 109.5° |
| C16 | C15 | C14 | 104.3° | 109.1° |
| C16 | C15 | N18 | 114.5° | 109.6° |
| C16 | C15 | H3 | 107.2° | 109.6° |
| C15 | C16 | H21 | 108.3° | 109.5° |
| C15 | C16 | H22 | 108.3° | 109.4° |
| C13 | C14 | C15 | 117.2° | 109.3° |
| C14 | C13 | H1 | 108.1° | 109.5° |
| C14 | C13 | H2 | 108.1° | 109.4° |
| C13 | C14 | H19 | 107.5° | 109.5° |
| C13 | C14 | H20 | 107.5° | 109.5° |
| C14 | C15 | N18 | 116.3° | 109.5° |
| C14 | C15 | H3 | 106.8° | 109.5° |
| C15 | C14 | H19 | 107.5° | 109.6° |
| C15 | C14 | H20 | 107.5° | 109.5° |
| C15 | N18 | C20 | 123.6° | 120.0° |
| C15 | N18 | C19 | 116.8° | 120.0° |
| N18 | C15 | H3 | 107.2° | 109.6° |
| C20 | N18 | C19 | 119.7° | 120.0° |
| N18 | C20 | C21 | 127.3° | 120.1° |
| N18 | C20 | N25 | 117.1° | 120.1° |
| N18 | C19 | H23 | 109.5° | 109.5° |
| N18 | C19 | H24 | 109.5° | 109.5° |
| N18 | C19 | H25 | 109.4° | 109.5° |
| O27 | C26 | C22 | 118.8° | 120.0° |
| O27 | C26 | N28 | 119.7° | 120.0° |
| C20 | C21 | C22 | 123.2° | 117.7° |
| C21 | C20 | N25 | 115.6° | 119.9° |
| C20 | C21 | H6 | 118.4° | 121.1° |
| C21 | C22 | C26 | 125.3° | 121.1° |
| C21 | C22 | C23 | 114.6° | 117.8° |
| C22 | C21 | H6 | 118.4° | 121.2° |
| C20 | N25 | N24 | 121.8° | 122.4° |
| C22 | C26 | N28 | 121.5° | 120.0° |
| C26 | C22 | C23 | 120.0° | 121.1° |
| C26 | N28 | C29 | 125.8° | 120.0° |
| C26 | N28 | H42 | 117.1° | 120.0° |
| C22 | C23 | N24 | 120.9° | 119.9° |
| C22 | C23 | H26 | 119.5° | 120.0° |
| N25 | N24 | C23 | 123.9° | 122.4° |
| N24 | C23 | H26 | 119.5° | 120.1° |
| N28 | C29 | C30 | 111.3° | 109.5° |
| N28 | C29 | H27 | 109.0° | 109.4° |
| N28 | C29 | H28 | 109.0° | 109.5° |
| C29 | N28 | H42 | 117.1° | 120.0° |
| C29 | C30 | N31 | 106.4° | 109.5° |
| C30 | C29 | H27 | 109.0° | 109.5° |
| C30 | C29 | H28 | 109.0° | 109.5° |
| C29 | C30 | H29 | 110.3° | 109.5° |
| C29 | C30 | H30 | 110.3° | 109.5° |
| C30 | N31 | C32 | 101.6° | 111.0° |
| C30 | N31 | C35 | 107.4° | 111.0° |
| N31 | C30 | H29 | 110.3° | 109.5° |
| N31 | C30 | H30 | 110.3° | 109.5° |
| C32 | N31 | C35 | 103.5° | 105.8° |
| N31 | C32 | C33 | 107.3° | 107.0° |
| N31 | C32 | H31 | 110.0° | 109.9° |
| N31 | C32 | H32 | 110.0° | 110.1° |
| N31 | C35 | C34 | 106.9° | 103.2° |
| N31 | C35 | H37 | 110.1° | 110.6° |
| N31 | C35 | H38 | 110.1° | 110.8° |
| C32 | C33 | C34 | 106.6° | 105.1° |
| C33 | C32 | H31 | 110.0° | 109.9° |
| C33 | C32 | H32 | 110.0° | 109.9° |
| C32 | C33 | H33 | 110.2° | 110.3° |
| C32 | C33 | H34 | 110.2° | 110.3° |
| C33 | C34 | C35 | 104.2° | 102.9° |
| C34 | C33 | H33 | 110.2° | 110.4° |
| C34 | C33 | H34 | 110.2° | 110.3° |
| C33 | C34 | H35 | 110.7° | 110.7° |
| C33 | C34 | H36 | 110.7° | 110.7° |
| C35 | C34 | H35 | 110.8° | 110.7° |
| C35 | C34 | H36 | 110.8° | 110.9° |
| C34 | C35 | H37 | 110.1° | 110.7° |
| C34 | C35 | H38 | 110.1° | 110.7° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.4° | 109.4° |
| H11 | C03 | H13 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H23 | C19 | H25 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.4° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.9° |
| H33 | C33 | H34 | 109.5° | 110.3° |
| H35 | C34 | H36 | 109.5° | 110.6° |
| H37 | C35 | H38 | 109.5° | 110.6° |
| H39 | C36 | H40 | 109.4° | 109.5° |
| H39 | C36 | H41 | 109.5° | 109.4° |
| H40 | C36 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | C05 | 179.9° | 179.8° |
| C11 | C10 | C05 | C04 | 0.3° | 0.3° |
| C11 | C10 | N09 | C08 | 180.0° | 179.7° |
| C11 | C10 | C05 | C06 | 179.9° | 179.8° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| N09 | C10 | C05 | C04 | 179.8° | 179.9° |
| N09 | C10 | C05 | C06 | 0.1° | 0.0° |
| C10 | N09 | C08 | N12 | 179.8° | 180.0° |
| C10 | N09 | C08 | N07 | 0.0° | 0.0° |
| N09 | C10 | C11 | H16 | 0.0° | 90.0° |
| N09 | C10 | C11 | H17 | 120.0° | 150.0° |
| N09 | C10 | C11 | H18 | 120.0° | 30.0° |
| C10 | C05 | C04 | C06 | 179.7° | 179.9° |
| C10 | C05 | C04 | C02 | 103.0° | 90.0° |
| C05 | C10 | N09 | C08 | 0.1° | 0.0° |
| C10 | C05 | C06 | N07 | 0.0° | 0.1° |
| C10 | C05 | C06 | C36 | 179.8° | 180.0° |
| C10 | C05 | C04 | H14 | 135.7° | 30.0° |
| C10 | C05 | C04 | H15 | 18.4° | 150.0° |
| C05 | C10 | C11 | H16 | 179.9° | 90.3° |
| C05 | C10 | C11 | H17 | 60.1° | 29.8° |
| C05 | C10 | C11 | H18 | 59.9° | 149.7° |
| C05 | C04 | C02 | H14 | 121.4° | 120.0° |
| C05 | C04 | C02 | H15 | 121.3° | 120.0° |
| C05 | C04 | C02 | C01 | 112.3° | 65.0° |
| C05 | C04 | C02 | C03 | 122.1° | 175.0° |
| C04 | C05 | C06 | N07 | 179.7° | 180.0° |
| C04 | C05 | C06 | C36 | 0.1° | 0.0° |
| C05 | C04 | C02 | H10 | 4.1° | 55.0° |
| C05 | C04 | H14 | H15 | 115.7° | 120.0° |
| C02 | C04 | C05 | C06 | 76.8° | 90.0° |
| C04 | C02 | C01 | C03 | 129.5° | 120.0° |
| C04 | C02 | C01 | H10 | 116.2° | 120.0° |
| C04 | C02 | C03 | H10 | 117.8° | 120.0° |
| C04 | C02 | C01 | H7 | 180.0° | 180.0° |
| C04 | C02 | C01 | H8 | 60.0° | 60.0° |
| C04 | C02 | C01 | H9 | 60.0° | 60.0° |
| C04 | C02 | C03 | H11 | 180.0° | 59.9° |
| C04 | C02 | C03 | H12 | 60.0° | 60.0° |
| C04 | C02 | C03 | H13 | 60.0° | 180.0° |
| C02 | C04 | H14 | H15 | 115.7° | 120.0° |
| N09 | C08 | N12 | N07 | 179.9° | 180.0° |
| N09 | C08 | N07 | C06 | 0.0° | 0.0° |
| N09 | C08 | N12 | C17 | 50.7° | 0.1° |
| N09 | C08 | N12 | C13 | 176.7° | 124.2° |
| C05 | C06 | N07 | C08 | 0.1° | 0.1° |
| C05 | C06 | N07 | C36 | 179.8° | 180.0° |
| C06 | C05 | C04 | H14 | 44.6° | 150.1° |
| C06 | C05 | C04 | H15 | 161.9° | 30.1° |
| C05 | C06 | C36 | H39 | 179.9° | 90.0° |
| C05 | C06 | C36 | H40 | 60.2° | 150.0° |
| C05 | C06 | C36 | H41 | 59.8° | 30.0° |
| C01 | C02 | C03 | H10 | 114.4° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 52.2° | 60.1° |
| C01 | C02 | C03 | H12 | 172.2° | 180.0° |
| C01 | C02 | C03 | H13 | 67.8° | 60.0° |
| C01 | C02 | C04 | H14 | 126.3° | 175.0° |
| C01 | C02 | C04 | H15 | 9.0° | 55.0° |
| C03 | C02 | C01 | H7 | 50.5° | 59.9° |
| C03 | C02 | C01 | H8 | 69.4° | 180.0° |
| C03 | C02 | C01 | H9 | 170.6° | 60.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H13 | 120.0° | 120.1° |
| C02 | C03 | H12 | H13 | 120.0° | 120.1° |
| C03 | C02 | C04 | H14 | 0.7° | 55.0° |
| C03 | C02 | C04 | H15 | 116.6° | 65.0° |
| N12 | C08 | N07 | C06 | 179.9° | 180.0° |
| C08 | N12 | C17 | C13 | 137.5° | 124.1° |
| C08 | N12 | C17 | C16 | 166.5° | 174.1° |
| C08 | N12 | C13 | C14 | 172.3° | 174.2° |
| C08 | N12 | C13 | H1 | 51.4° | 54.1° |
| C08 | N12 | C13 | H2 | 66.9° | 65.9° |
| C08 | N12 | C17 | H4 | 72.8° | 65.9° |
| C08 | N12 | C17 | H5 | 45.8° | 54.1° |
| C08 | N07 | C06 | C36 | 179.9° | 180.0° |
| N07 | C08 | N12 | C17 | 129.2° | 180.0° |
| N07 | C08 | N12 | C13 | 3.4° | 55.8° |
| N07 | C06 | C36 | H39 | 0.0° | 90.0° |
| N07 | C06 | C36 | H40 | 120.0° | 30.0° |
| N07 | C06 | C36 | H41 | 120.0° | 150.0° |
| C06 | C36 | H39 | H40 | 120.0° | 120.0° |
| C06 | C36 | H39 | H41 | 120.0° | 120.0° |
| C06 | C36 | H40 | H41 | 120.0° | 120.0° |
| N12 | C17 | C16 | H4 | 120.7° | 119.9° |
| N12 | C17 | C16 | H5 | 120.7° | 120.0° |
| N12 | C17 | C16 | C15 | 61.9° | 59.2° |
| C17 | N12 | C13 | C14 | 50.2° | 61.7° |
| C17 | N12 | C13 | H1 | 171.0° | 178.2° |
| C17 | N12 | C13 | H2 | 70.6° | 58.2° |
| N12 | C17 | H4 | H5 | 117.8° | 120.0° |
| N12 | C17 | C16 | H21 | 177.4° | 60.8° |
| N12 | C17 | C16 | H22 | 58.8° | 179.1° |
| C13 | N12 | C17 | C16 | 56.0° | 61.8° |
| N12 | C13 | C14 | H1 | 120.8° | 120.0° |
| N12 | C13 | C14 | H2 | 120.8° | 120.0° |
| N12 | C13 | C14 | C15 | 50.7° | 59.2° |
| N12 | C13 | H1 | H2 | 117.5° | 120.0° |
| C13 | N12 | C17 | H4 | 64.7° | 58.2° |
| C13 | N12 | C17 | H5 | 176.7° | 178.2° |
| N12 | C13 | C14 | H19 | 70.4° | 60.8° |
| N12 | C13 | C14 | H20 | 171.8° | 179.1° |
| C17 | C16 | C15 | H21 | 120.7° | 120.0° |
| C17 | C16 | C15 | H22 | 120.7° | 119.9° |
| C17 | C16 | C15 | C14 | 51.9° | 57.7° |
| C17 | C16 | C15 | N18 | 76.4° | 62.2° |
| C17 | C16 | C15 | H3 | 164.8° | 177.6° |
| C16 | C17 | H4 | H5 | 117.7° | 120.0° |
| C17 | C16 | H21 | H22 | 117.8° | 120.1° |
| C16 | C15 | C14 | C13 | 47.5° | 57.7° |
| C16 | C15 | C14 | N18 | 127.1° | 119.9° |
| C16 | C15 | C14 | H3 | 113.3° | 120.0° |
| C16 | C15 | N18 | H3 | 118.8° | 120.3° |
| C16 | C15 | N18 | C20 | 89.0° | 60.8° |
| C16 | C15 | N18 | C19 | 91.5° | 119.2° |
| C15 | C16 | C17 | H4 | 58.8° | 60.7° |
| C15 | C16 | C17 | H5 | 177.4° | 179.2° |
| C16 | C15 | C14 | H19 | 73.6° | 62.3° |
| C16 | C15 | C14 | H20 | 168.6° | 177.6° |
| C15 | C16 | H21 | H22 | 117.8° | 120.0° |
| C13 | C14 | C15 | H19 | 121.1° | 120.0° |
| C13 | C14 | C15 | H20 | 121.1° | 119.9° |
| C13 | C14 | C15 | N18 | 79.7° | 62.2° |
| C14 | C13 | H1 | H2 | 117.4° | 120.0° |
| C13 | C14 | C15 | H3 | 160.7° | 177.7° |
| C13 | C14 | H19 | H20 | 116.5° | 120.0° |
| C14 | C15 | N18 | H3 | 119.3° | 120.1° |
| C14 | C15 | N18 | C20 | 149.1° | 179.5° |
| C14 | C15 | N18 | C19 | 30.4° | 0.5° |
| C15 | C14 | C13 | H1 | 171.5° | 179.2° |
| C15 | C14 | C13 | H2 | 70.1° | 60.8° |
| C15 | C14 | H19 | H20 | 116.5° | 120.1° |
| C14 | C15 | C16 | H21 | 172.5° | 62.3° |
| C14 | C15 | C16 | H22 | 68.8° | 177.6° |
| C15 | N18 | C20 | C19 | 179.5° | 180.0° |
| C15 | N18 | C20 | C21 | 42.9° | 10.2° |
| C15 | N18 | C20 | N25 | 138.0° | 169.5° |
| N18 | C15 | C14 | H19 | 159.2° | 177.8° |
| N18 | C15 | C14 | H20 | 41.4° | 57.7° |
| N18 | C15 | C16 | H21 | 44.3° | 177.8° |
| N18 | C15 | C16 | H22 | 163.0° | 57.7° |
| C15 | N18 | C19 | H23 | 180.0° | 95.7° |
| C15 | N18 | C19 | H24 | 60.0° | 144.3° |
| C15 | N18 | C19 | H25 | 60.0° | 24.3° |
| N18 | C20 | C21 | N25 | 179.1° | 179.7° |
| N18 | C20 | C21 | C22 | 179.5° | 179.7° |
| N18 | C20 | N25 | N24 | 179.7° | 179.7° |
| C20 | N18 | C15 | H3 | 29.7° | 59.5° |
| N18 | C20 | C21 | H6 | 0.5° | 0.2° |
| C20 | N18 | C19 | H23 | 0.5° | 84.3° |
| C20 | N18 | C19 | H24 | 119.5° | 35.6° |
| C20 | N18 | C19 | H25 | 120.5° | 155.6° |
| C19 | N18 | C20 | C21 | 136.5° | 169.8° |
| C19 | N18 | C20 | N25 | 42.5° | 10.5° |
| C19 | N18 | C15 | H3 | 149.7° | 120.5° |
| N18 | C19 | H23 | H24 | 120.0° | 120.0° |
| N18 | C19 | H23 | H25 | 120.0° | 120.1° |
| N18 | C19 | H24 | H25 | 120.0° | 120.1° |
| O27 | C26 | C22 | C21 | 14.0° | 0.0° |
| O27 | C26 | C22 | N28 | 179.9° | 180.0° |
| O27 | C26 | C22 | C23 | 166.2° | 180.0° |
| O27 | C26 | N28 | C29 | 0.1° | 0.0° |
| O27 | C26 | N28 | H42 | 179.8° | 179.9° |
| C20 | C21 | C22 | H6 | 180.0° | 180.0° |
| C20 | C21 | C22 | C26 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C20 | N25 | N24 | 0.5° | 0.0° |
| C22 | C21 | C20 | N25 | 0.4° | 0.0° |
| C21 | C22 | C26 | C23 | 179.8° | 180.0° |
| C21 | C22 | C26 | N28 | 166.0° | 180.0° |
| C21 | C22 | C23 | N24 | 0.0° | 0.1° |
| C21 | C22 | C23 | H26 | 180.0° | 180.0° |
| C20 | N25 | N24 | C23 | 0.4° | 0.1° |
| N25 | C20 | C21 | H6 | 179.6° | 180.0° |
| C26 | C22 | C23 | N24 | 179.8° | 179.9° |
| C22 | C26 | N28 | C29 | 179.9° | 180.0° |
| C26 | C22 | C21 | H6 | 0.0° | 0.1° |
| C26 | C22 | C23 | H26 | 0.2° | 0.0° |
| C22 | C26 | N28 | H42 | 0.1° | 0.1° |
| N28 | C26 | C22 | C23 | 13.8° | 0.0° |
| C26 | N28 | C29 | H42 | 180.0° | 179.9° |
| C26 | N28 | C29 | C30 | 158.7° | 180.0° |
| C26 | N28 | C29 | H27 | 81.0° | 60.0° |
| C26 | N28 | C29 | H28 | 38.4° | 60.0° |
| C22 | C23 | N24 | N25 | 0.1° | 0.1° |
| C22 | C23 | N24 | H26 | 180.0° | 179.9° |
| C23 | C22 | C21 | H6 | 179.8° | 180.0° |
| N25 | N24 | C23 | H26 | 179.9° | 180.0° |
| N28 | C29 | C30 | H27 | 120.3° | 120.0° |
| N28 | C29 | C30 | H28 | 120.3° | 120.0° |
| N28 | C29 | C30 | N31 | 76.3° | 180.0° |
| N28 | C29 | H27 | H28 | 119.2° | 120.0° |
| N28 | C29 | C30 | H29 | 43.3° | 60.0° |
| N28 | C29 | C30 | H30 | 164.2° | 60.0° |
| C29 | C30 | N31 | H29 | 119.5° | 120.0° |
| C29 | C30 | N31 | H30 | 119.5° | 120.0° |
| C29 | C30 | N31 | C32 | 98.4° | 170.0° |
| C29 | C30 | N31 | C35 | 153.3° | 72.6° |
| C30 | C29 | H27 | H28 | 119.2° | 120.0° |
| C29 | C30 | H29 | H30 | 121.4° | 120.0° |
| C30 | C29 | N28 | H42 | 21.3° | 0.1° |
| C30 | N31 | C32 | C35 | 111.3° | 120.5° |
| C30 | N31 | C32 | C33 | 84.0° | 145.8° |
| C30 | N31 | C35 | C34 | 72.2° | 159.7° |
| N31 | C30 | C29 | H27 | 163.4° | 60.0° |
| N31 | C30 | C29 | H28 | 44.0° | 60.0° |
| N31 | C30 | H29 | H30 | 121.4° | 120.0° |
| C30 | N31 | C32 | H31 | 35.6° | 94.8° |
| C30 | N31 | C32 | H32 | 156.3° | 26.4° |
| C30 | N31 | C35 | H37 | 168.2° | 41.3° |
| C30 | N31 | C35 | H38 | 47.3° | 81.8° |
| N31 | C32 | C33 | H31 | 119.6° | 119.3° |
| N31 | C32 | C33 | H32 | 119.6° | 119.5° |
| N31 | C32 | C33 | C34 | 10.1° | 1.2° |
| C32 | N31 | C35 | C34 | 34.8° | 39.2° |
| C32 | N31 | C30 | H29 | 142.1° | 70.0° |
| C32 | N31 | C30 | H30 | 21.1° | 50.0° |
| N31 | C32 | H31 | H32 | 121.0° | 121.3° |
| N31 | C32 | C33 | H33 | 109.4° | 120.2° |
| N31 | C32 | C33 | H34 | 129.7° | 117.7° |
| C32 | N31 | C35 | H37 | 84.8° | 79.3° |
| C32 | N31 | C35 | H38 | 154.4° | 157.7° |
| C35 | N31 | C32 | C33 | 27.3° | 25.3° |
| N31 | C35 | C34 | C33 | 28.5° | 37.4° |
| N31 | C35 | C34 | H37 | 119.6° | 118.4° |
| N31 | C35 | C34 | H38 | 119.6° | 118.6° |
| C35 | N31 | C30 | H29 | 33.8° | 47.4° |
| C35 | N31 | C30 | H30 | 87.2° | 167.4° |
| C35 | N31 | C32 | H31 | 146.9° | 144.7° |
| C35 | N31 | C32 | H32 | 92.3° | 94.2° |
| N31 | C35 | C34 | H35 | 90.6° | 155.8° |
| N31 | C35 | C34 | H36 | 147.6° | 81.0° |
| N31 | C35 | H37 | H38 | 121.2° | 123.2° |
| C32 | C33 | C34 | H33 | 119.6° | 118.9° |
| C32 | C33 | C34 | H34 | 119.6° | 118.9° |
| C32 | C33 | C34 | C35 | 11.0° | 22.0° |
| C33 | C32 | H31 | H32 | 121.0° | 121.1° |
| C32 | C33 | H33 | H34 | 121.3° | 122.1° |
| C32 | C33 | C34 | H35 | 108.1° | 140.3° |
| C32 | C33 | C34 | H36 | 130.2° | 96.6° |
| C33 | C34 | C35 | H35 | 119.1° | 118.3° |
| C33 | C34 | C35 | H36 | 119.1° | 118.5° |
| C34 | C33 | C32 | H31 | 129.8° | 120.5° |
| C34 | C33 | C32 | H32 | 109.5° | 118.3° |
| C34 | C33 | H33 | H34 | 121.3° | 122.2° |
| C33 | C34 | H35 | H36 | 122.4° | 123.1° |
| C33 | C34 | C35 | H37 | 91.1° | 81.0° |
| C33 | C34 | C35 | H38 | 148.1° | 156.0° |
| C35 | C34 | C33 | H33 | 130.6° | 96.9° |
| C35 | C34 | C33 | H34 | 108.6° | 140.9° |
| C35 | C34 | H35 | H36 | 122.5° | 123.4° |
| C34 | C35 | H37 | H38 | 121.2° | 123.0° |
| H1 | C13 | C14 | H19 | 50.4° | 59.2° |
| H1 | C13 | C14 | H20 | 67.4° | 60.8° |
| H2 | C13 | C14 | H19 | 168.7° | 179.2° |
| H2 | C13 | C14 | H20 | 51.0° | 59.2° |
| H3 | C15 | C14 | H19 | 39.6° | 57.7° |
| H3 | C15 | C14 | H20 | 78.2° | 62.4° |
| H3 | C15 | C16 | H21 | 74.5° | 57.6° |
| H3 | C15 | C16 | H22 | 44.2° | 62.5° |
| H4 | C17 | C16 | H21 | 61.9° | 179.3° |
| H4 | C17 | C16 | H22 | 179.5° | 59.1° |
| H5 | C17 | C16 | H21 | 56.7° | 59.2° |
| H5 | C17 | C16 | H22 | 61.9° | 60.9° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H7 | C01 | C02 | H10 | 63.8° | 60.0° |
| H8 | C01 | C02 | H10 | 176.3° | 60.0° |
| H9 | C01 | C02 | H10 | 56.2° | 180.0° |
| H10 | C02 | C03 | H11 | 62.2° | 180.0° |
| H10 | C02 | C03 | H12 | 57.8° | 60.0° |
| H10 | C02 | C03 | H13 | 177.8° | 60.0° |
| H10 | C02 | C04 | H14 | 117.2° | 65.0° |
| H10 | C02 | C04 | H15 | 125.5° | 175.0° |
| H11 | C03 | H12 | H13 | 120.0° | 120.0° |
| H16 | C11 | H17 | H18 | 120.0° | 119.9° |
| H23 | C19 | H24 | H25 | 120.0° | 119.9° |
| H27 | C29 | C30 | H29 | 77.0° | 60.0° |
| H27 | C29 | C30 | H30 | 43.9° | 180.0° |
| H27 | C29 | N28 | H42 | 99.0° | 120.1° |
| H28 | C29 | C30 | H29 | 163.5° | 180.0° |
| H28 | C29 | C30 | H30 | 75.5° | 60.0° |
| H28 | C29 | N28 | H42 | 141.6° | 119.9° |
| H31 | C32 | C33 | H33 | 10.2° | 120.5° |
| H31 | C32 | C33 | H34 | 110.7° | 1.6° |
| H32 | C32 | C33 | H33 | 130.9° | 0.6° |
| H32 | C32 | C33 | H34 | 10.0° | 122.8° |
| H33 | C33 | C34 | H35 | 11.4° | 21.4° |
| H33 | C33 | C34 | H36 | 110.3° | 144.5° |
| H34 | C33 | C34 | H35 | 132.3° | 100.8° |
| H34 | C33 | C34 | H36 | 10.6° | 22.3° |
| H35 | C34 | C35 | H37 | 149.8° | 37.3° |
| H35 | C34 | C35 | H38 | 28.9° | 85.7° |
| H36 | C34 | C35 | H37 | 28.0° | 160.6° |
| H36 | C34 | C35 | H38 | 92.8° | 37.6° |
| H39 | C36 | H40 | H41 | 120.0° | 119.9° |
