BWQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.54Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C14 | C13 | sing | 1.54Å | 1.54Å | |
| C16 | C12 | sing | 1.55Å | 1.49Å | |
| C13 | C12 | sing | 1.54Å | 1.51Å | |
| C12 | O11 | sing | 1.43Å | 1.41Å | |
| O11 | C10 | sing | 1.36Å | 1.42Å | |
| C10 | C09 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.44Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.31Å | Aromatic |
| C08 | C19 | doub | 1.42Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| N07 | C06 | sing | 1.37Å | 1.29Å | Aromatic |
| C19 | C20 | sing | 1.45Å | 1.56Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C06 | C20 | doub | 1.35Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.49Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | N38 | sing | 1.48Å | 1.47Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| N38 | C22 | sing | 1.46Å | 1.45Å | |
| N38 | C36 | sing | 1.33Å | 1.45Å | |
| C22 | C23 | sing | 1.49Å | 1.52Å | |
| O37 | C36 | doub | 1.21Å | 1.39Å | |
| C36 | C26 | sing | 1.49Å | 1.52Å | |
| C23 | O24 | doub | 1.21Å | 1.39Å | |
| C23 | N25 | sing | 1.33Å | 1.46Å | |
| C26 | N25 | sing | 1.45Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C35 | C32 | sing | 1.53Å | 1.53Å | |
| O31 | C29 | sing | 1.34Å | 1.43Å | |
| O31 | C32 | sing | 1.45Å | 1.44Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C29 | O30 | doub | 1.21Å | 1.18Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| N07 | H40 | sing | 0.97Å | 1.00Å | |
| N25 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 106.6° | 104.3° |
| C15 | C14 | C13 | 104.3° | 106.6° |
| C15 | C14 | H15 | 110.7° | 110.0° |
| C15 | C14 | H16 | 110.7° | 110.1° |
| C14 | C15 | H17 | 110.2° | 110.5° |
| C14 | C15 | H18 | 110.2° | 110.5° |
| C15 | C16 | C12 | 106.3° | 102.7° |
| C16 | C15 | H17 | 110.2° | 110.5° |
| C16 | C15 | H18 | 110.2° | 110.4° |
| C15 | C16 | H19 | 110.2° | 110.8° |
| C15 | C16 | H20 | 110.2° | 110.7° |
| C14 | C13 | C12 | 104.9° | 106.6° |
| C14 | C13 | H13 | 110.6° | 110.0° |
| C14 | C13 | H14 | 110.6° | 110.1° |
| C13 | C14 | H15 | 110.7° | 110.1° |
| C13 | C14 | H16 | 110.8° | 110.0° |
| C16 | C12 | C13 | 109.0° | 104.3° |
| C16 | C12 | O11 | 106.4° | 110.5° |
| C16 | C12 | H12 | 111.6° | 110.5° |
| C12 | C16 | H19 | 110.3° | 110.9° |
| C12 | C16 | H20 | 110.3° | 110.6° |
| C13 | C12 | O11 | 105.4° | 110.4° |
| C13 | C12 | H12 | 111.2° | 110.5° |
| C12 | C13 | H13 | 110.6° | 110.1° |
| C12 | C13 | H14 | 110.6° | 110.0° |
| C12 | O11 | C10 | 110.6° | 117.0° |
| O11 | C12 | H12 | 112.9° | 110.5° |
| O11 | C10 | C09 | 117.0° | 118.9° |
| O11 | C10 | C17 | 122.9° | 118.9° |
| C09 | C10 | C17 | 120.0° | 122.2° |
| C10 | C09 | C08 | 121.6° | 116.8° |
| C10 | C09 | H11 | 119.2° | 121.6° |
| C10 | C17 | C18 | 120.1° | 122.0° |
| C10 | C17 | H21 | 120.0° | 119.0° |
| C09 | C08 | N07 | 134.6° | 132.0° |
| C09 | C08 | C19 | 122.0° | 120.6° |
| C08 | C09 | H11 | 119.2° | 121.6° |
| C17 | C18 | C19 | 118.6° | 116.9° |
| C18 | C17 | H21 | 119.9° | 119.0° |
| C17 | C18 | H22 | 120.7° | 121.5° |
| N07 | C08 | C19 | 103.4° | 107.3° |
| C08 | N07 | C06 | 123.3° | 109.7° |
| C08 | N07 | H40 | 118.4° | 125.1° |
| C08 | C19 | C18 | 117.7° | 121.4° |
| C08 | C19 | C20 | 103.4° | 106.1° |
| C18 | C19 | C20 | 138.9° | 132.5° |
| C19 | C18 | H22 | 120.7° | 121.6° |
| N07 | C06 | C20 | 103.3° | 109.9° |
| N07 | C06 | C05 | 132.3° | 126.6° |
| C06 | N07 | H40 | 118.3° | 125.1° |
| C19 | C20 | C06 | 106.6° | 107.0° |
| C19 | C20 | C21 | 136.3° | 128.3° |
| C01 | C02 | C03 | 110.3° | 109.4° |
| C01 | C02 | C04 | 108.6° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 110.6° | 109.5° |
| C03 | C02 | C04 | 105.4° | 109.5° |
| C03 | C02 | H4 | 111.2° | 109.4° |
| C02 | C03 | H5 | 109.5° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C04 | C05 | 109.1° | 109.5° |
| C04 | C02 | H4 | 110.6° | 109.5° |
| C02 | C04 | H8 | 109.6° | 109.5° |
| C02 | C04 | H9 | 109.6° | 109.5° |
| C20 | C06 | C05 | 124.4° | 123.5° |
| C06 | C20 | C21 | 117.1° | 124.7° |
| C06 | C05 | C04 | 108.7° | 109.9° |
| C06 | C05 | N38 | 108.8° | 107.4° |
| C06 | C05 | H10 | 110.3° | 109.9° |
| C20 | C21 | C22 | 102.6° | 108.9° |
| C20 | C21 | H23 | 111.2° | 109.5° |
| C20 | C21 | H24 | 111.2° | 109.6° |
| C04 | C05 | N38 | 108.8° | 109.9° |
| C05 | C04 | H8 | 109.5° | 109.5° |
| C05 | C04 | H9 | 109.6° | 109.4° |
| C04 | C05 | H10 | 109.6° | 109.9° |
| C05 | N38 | C22 | 121.7° | 117.9° |
| C05 | N38 | C36 | 113.2° | 119.0° |
| N38 | C05 | H10 | 110.6° | 109.9° |
| C21 | C22 | N38 | 110.5° | 109.2° |
| C21 | C22 | C23 | 111.2° | 109.6° |
| C22 | C21 | H23 | 111.2° | 109.6° |
| C22 | C21 | H24 | 111.2° | 109.5° |
| C21 | C22 | H25 | 109.2° | 108.8° |
| C22 | N38 | C36 | 120.0° | 123.1° |
| N38 | C22 | C23 | 106.4° | 112.1° |
| N38 | C22 | H25 | 110.2° | 108.2° |
| N38 | C36 | O37 | 117.9° | 117.8° |
| N38 | C36 | C26 | 121.5° | 124.4° |
| C22 | C23 | O24 | 120.4° | 117.9° |
| C22 | C23 | N25 | 118.6° | 124.2° |
| C23 | C22 | H25 | 109.3° | 108.9° |
| O37 | C36 | C26 | 120.5° | 117.8° |
| C36 | C26 | N25 | 110.8° | 112.1° |
| C36 | C26 | C27 | 109.7° | 109.0° |
| C36 | C26 | H26 | 109.2° | 108.9° |
| O24 | C23 | N25 | 121.0° | 118.0° |
| C23 | N25 | C26 | 120.2° | 123.8° |
| C23 | N25 | H41 | 119.9° | 118.1° |
| N25 | C26 | C27 | 107.8° | 109.0° |
| N25 | C26 | H26 | 110.5° | 109.0° |
| C26 | N25 | H41 | 119.9° | 118.1° |
| C26 | C27 | C28 | 111.4° | 109.5° |
| C27 | C26 | H26 | 108.9° | 108.9° |
| C26 | C27 | H27 | 109.0° | 109.4° |
| C26 | C27 | H28 | 109.0° | 109.5° |
| C27 | C28 | C29 | 107.7° | 109.5° |
| C28 | C27 | H27 | 109.0° | 109.5° |
| C28 | C27 | H28 | 109.0° | 109.5° |
| C27 | C28 | H29 | 109.9° | 109.5° |
| C27 | C28 | H30 | 109.9° | 109.5° |
| C28 | C29 | O31 | 119.1° | 120.0° |
| C28 | C29 | O30 | 118.4° | 120.0° |
| C29 | C28 | H29 | 109.9° | 109.5° |
| C29 | C28 | H30 | 109.9° | 109.4° |
| C35 | C32 | O31 | 107.7° | 109.4° |
| C35 | C32 | C33 | 109.1° | 109.4° |
| C35 | C32 | C34 | 107.5° | 109.5° |
| C32 | C35 | H37 | 109.5° | 109.5° |
| C32 | C35 | H38 | 109.5° | 109.5° |
| C32 | C35 | H39 | 109.5° | 109.5° |
| C29 | O31 | C32 | 120.1° | 117.0° |
| O31 | C29 | O30 | 122.4° | 120.0° |
| O31 | C32 | C33 | 111.2° | 109.5° |
| O31 | C32 | C34 | 111.2° | 109.5° |
| C33 | C32 | C34 | 110.0° | 109.5° |
| C32 | C33 | H31 | 109.5° | 109.5° |
| C32 | C33 | H32 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C34 | H34 | 109.5° | 109.5° |
| C32 | C34 | H35 | 109.5° | 109.5° |
| C32 | C34 | H36 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 110.0° |
| H15 | C14 | H16 | 109.5° | 110.0° |
| H17 | C15 | H18 | 109.5° | 110.5° |
| H19 | C16 | H20 | 109.5° | 110.8° |
| H23 | C21 | H24 | 109.5° | 109.7° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H29 | C28 | H30 | 109.5° | 109.4° |
| H31 | C33 | H32 | 109.5° | 109.5° |
| H31 | C33 | H33 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.4° | 109.4° |
| H34 | C34 | H36 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H39 | 109.5° | 109.4° |
| H38 | C35 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H17 | 119.6° | 118.8° |
| C14 | C15 | C16 | H18 | 119.6° | 118.7° |
| C15 | C14 | C13 | H15 | 119.2° | 119.3° |
| C15 | C14 | C13 | H16 | 119.2° | 119.3° |
| C14 | C15 | C16 | C12 | 7.2° | 37.8° |
| C15 | C14 | C13 | C12 | 29.8° | 0.0° |
| C15 | C14 | C13 | H13 | 149.1° | 119.3° |
| C15 | C14 | C13 | H14 | 89.5° | 119.3° |
| C15 | C14 | H15 | H16 | 122.4° | 121.4° |
| C14 | C15 | H17 | H18 | 121.3° | 122.6° |
| C14 | C15 | C16 | H19 | 126.7° | 156.3° |
| C14 | C15 | C16 | H20 | 112.3° | 80.3° |
| C16 | C15 | C14 | C13 | 22.9° | 23.5° |
| C15 | C16 | C12 | H19 | 119.5° | 118.4° |
| C15 | C16 | C12 | H20 | 119.5° | 118.2° |
| C15 | C16 | C12 | C13 | 11.9° | 37.8° |
| C15 | C16 | C12 | O11 | 125.1° | 156.5° |
| C15 | C16 | C12 | H12 | 111.3° | 81.0° |
| C16 | C15 | C14 | H15 | 96.3° | 95.8° |
| C16 | C15 | C14 | H16 | 142.1° | 142.8° |
| C16 | C15 | H17 | H18 | 121.3° | 122.5° |
| C15 | C16 | H19 | H20 | 121.4° | 123.3° |
| C14 | C13 | C12 | C16 | 26.4° | 23.6° |
| C14 | C13 | C12 | H13 | 119.3° | 119.3° |
| C14 | C13 | C12 | H14 | 119.3° | 119.3° |
| C14 | C13 | C12 | O11 | 140.3° | 142.3° |
| C14 | C13 | C12 | H12 | 97.0° | 95.2° |
| C14 | C13 | H13 | H14 | 122.1° | 121.5° |
| C13 | C14 | H15 | H16 | 122.4° | 121.4° |
| C13 | C14 | C15 | H17 | 96.7° | 142.3° |
| C13 | C14 | C15 | H18 | 142.4° | 95.1° |
| C16 | C12 | C13 | O11 | 113.9° | 118.7° |
| C16 | C12 | C13 | H12 | 123.4° | 118.7° |
| C16 | C12 | O11 | H12 | 122.7° | 122.6° |
| C16 | C12 | O11 | C10 | 145.2° | 89.0° |
| C16 | C12 | C13 | H13 | 145.6° | 95.7° |
| C16 | C12 | C13 | H14 | 92.9° | 142.9° |
| C12 | C16 | C15 | H17 | 112.3° | 156.5° |
| C12 | C16 | C15 | H18 | 126.8° | 80.9° |
| C12 | C16 | H19 | H20 | 121.5° | 123.3° |
| C13 | C12 | O11 | H12 | 121.6° | 122.5° |
| C13 | C12 | O11 | C10 | 99.1° | 156.1° |
| C12 | C13 | H13 | H14 | 122.1° | 121.4° |
| C12 | C13 | C14 | H15 | 89.4° | 119.3° |
| C12 | C13 | C14 | H16 | 149.0° | 119.3° |
| C13 | C12 | C16 | H19 | 107.6° | 156.2° |
| C13 | C12 | C16 | H20 | 131.4° | 80.4° |
| C12 | O11 | C10 | C09 | 130.8° | 5.9° |
| C12 | O11 | C10 | C17 | 50.8° | 174.0° |
| O11 | C12 | C13 | H13 | 100.4° | 23.0° |
| O11 | C12 | C13 | H14 | 21.0° | 98.4° |
| O11 | C12 | C16 | H19 | 5.6° | 85.1° |
| O11 | C12 | C16 | H20 | 115.4° | 38.3° |
| O11 | C10 | C09 | C17 | 178.5° | 180.0° |
| O11 | C10 | C09 | C08 | 178.6° | 180.0° |
| O11 | C10 | C17 | C18 | 178.7° | 180.0° |
| O11 | C10 | C09 | H11 | 1.4° | 0.0° |
| C10 | O11 | C12 | H12 | 22.5° | 33.6° |
| O11 | C10 | C17 | H21 | 1.3° | 0.0° |
| C10 | C09 | C08 | H11 | 180.0° | 180.0° |
| C09 | C10 | C17 | C18 | 0.3° | 0.0° |
| C10 | C09 | C08 | N07 | 180.0° | 180.0° |
| C10 | C09 | C08 | C19 | 0.3° | 0.1° |
| C09 | C10 | C17 | H21 | 179.7° | 180.0° |
| C17 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C17 | C18 | H21 | 180.0° | 180.0° |
| C10 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C10 | C09 | H11 | 179.9° | 180.0° |
| C10 | C17 | C18 | H22 | 179.8° | 179.9° |
| C09 | C08 | N07 | C19 | 179.8° | 179.9° |
| C09 | C08 | C19 | C18 | 0.4° | 0.2° |
| C09 | C08 | N07 | C06 | 179.6° | 179.9° |
| C09 | C08 | C19 | C20 | 179.8° | 179.8° |
| C09 | C08 | N07 | H40 | 0.4° | 0.2° |
| C17 | C18 | C19 | C08 | 0.2° | 0.1° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.8° | 179.8° |
| N07 | C08 | C19 | C18 | 179.8° | 179.9° |
| C08 | N07 | C06 | H40 | 180.0° | 179.9° |
| N07 | C08 | C19 | C20 | 0.0° | 0.2° |
| C08 | N07 | C06 | C20 | 0.4° | 0.1° |
| C08 | N07 | C06 | C05 | 179.6° | 179.9° |
| N07 | C08 | C09 | H11 | 0.1° | 0.0° |
| C08 | C19 | C18 | C20 | 179.7° | 180.0° |
| C19 | C08 | N07 | C06 | 0.2° | 0.0° |
| C08 | C19 | C20 | C06 | 0.2° | 0.2° |
| C08 | C19 | C20 | C21 | 179.1° | 179.5° |
| C19 | C08 | C09 | H11 | 179.7° | 179.9° |
| C08 | C19 | C18 | H22 | 179.8° | 179.8° |
| C19 | C08 | N07 | H40 | 179.8° | 179.9° |
| C18 | C19 | C20 | C06 | 179.9° | 179.8° |
| C18 | C19 | C20 | C21 | 0.6° | 0.5° |
| C19 | C18 | C17 | H21 | 179.8° | 180.0° |
| N07 | C06 | C20 | C19 | 0.3° | 0.2° |
| N07 | C06 | C20 | C05 | 180.0° | 180.0° |
| N07 | C06 | C20 | C21 | 179.2° | 179.5° |
| N07 | C06 | C05 | C04 | 87.6° | 48.5° |
| N07 | C06 | C05 | N38 | 154.0° | 168.1° |
| N07 | C06 | C05 | H10 | 32.6° | 72.5° |
| C19 | C20 | C06 | C21 | 179.5° | 179.7° |
| C19 | C20 | C06 | C05 | 179.7° | 179.8° |
| C19 | C20 | C21 | C22 | 135.6° | 162.9° |
| C20 | C19 | C18 | H22 | 0.2° | 0.2° |
| C19 | C20 | C21 | H23 | 16.7° | 43.1° |
| C19 | C20 | C21 | H24 | 105.5° | 77.2° |
| C01 | C02 | C03 | C04 | 117.0° | 120.0° |
| C01 | C02 | C03 | H4 | 123.1° | 119.9° |
| C01 | C02 | C04 | H4 | 121.5° | 120.0° |
| C01 | C02 | C04 | C05 | 169.7° | 163.1° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | C03 | H5 | 180.0° | 76.1° |
| C01 | C02 | C03 | H6 | 60.0° | 43.9° |
| C01 | C02 | C03 | H7 | 60.0° | 164.0° |
| C01 | C02 | C04 | H8 | 49.8° | 43.0° |
| C01 | C02 | C04 | H9 | 70.3° | 77.0° |
| C03 | C02 | C04 | H4 | 120.3° | 120.0° |
| C03 | C02 | C04 | C05 | 72.1° | 43.1° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | C02 | C04 | H8 | 168.0° | 76.9° |
| C03 | C02 | C04 | H9 | 47.8° | 163.1° |
| C02 | C04 | C05 | C06 | 76.4° | 47.9° |
| C02 | C04 | C05 | H8 | 119.9° | 120.0° |
| C02 | C04 | C05 | H9 | 120.0° | 120.0° |
| C02 | C04 | C05 | N38 | 165.3° | 70.1° |
| C04 | C02 | C01 | H1 | 65.0° | 180.0° |
| C04 | C02 | C01 | H2 | 175.0° | 60.0° |
| C04 | C02 | C01 | H3 | 55.0° | 60.0° |
| C04 | C02 | C03 | H5 | 63.0° | 163.9° |
| C04 | C02 | C03 | H6 | 57.0° | 76.1° |
| C04 | C02 | C03 | H7 | 177.0° | 44.0° |
| C02 | C04 | H8 | H9 | 120.2° | 120.0° |
| C02 | C04 | C05 | H10 | 44.2° | 168.9° |
| C20 | C06 | C05 | C04 | 92.4° | 131.4° |
| C20 | C06 | C05 | N38 | 26.0° | 11.9° |
| C06 | C20 | C21 | C22 | 43.7° | 17.4° |
| C20 | C06 | C05 | H10 | 147.4° | 107.6° |
| C06 | C20 | C21 | H23 | 162.6° | 137.3° |
| C06 | C20 | C21 | H24 | 75.2° | 102.4° |
| C20 | C06 | N07 | H40 | 179.7° | 180.0° |
| C05 | C06 | C20 | C21 | 0.8° | 0.5° |
| C06 | C05 | C04 | N38 | 118.3° | 118.0° |
| C06 | C05 | C04 | H10 | 120.6° | 121.0° |
| C06 | C05 | N38 | H10 | 121.3° | 119.5° |
| C06 | C05 | N38 | C22 | 1.9° | 45.1° |
| C06 | C05 | N38 | C36 | 152.6° | 134.7° |
| C06 | C05 | C04 | H8 | 43.5° | 167.9° |
| C06 | C05 | C04 | H9 | 163.6° | 72.1° |
| C05 | C06 | N07 | H40 | 0.3° | 0.0° |
| C20 | C21 | C22 | H23 | 118.9° | 119.8° |
| C20 | C21 | C22 | H24 | 118.9° | 119.9° |
| C20 | C21 | C22 | N38 | 64.3° | 45.3° |
| C20 | C21 | C22 | C23 | 177.8° | 168.4° |
| C20 | C21 | H23 | H24 | 123.2° | 120.3° |
| C20 | C21 | C22 | H25 | 57.1° | 72.7° |
| C04 | C05 | N38 | H10 | 120.5° | 121.0° |
| C04 | C05 | N38 | C22 | 116.3° | 164.6° |
| C04 | C05 | N38 | C36 | 89.2° | 15.2° |
| C05 | C04 | C02 | H4 | 48.2° | 76.9° |
| C05 | C04 | H8 | H9 | 120.2° | 120.0° |
| C05 | N38 | C22 | C21 | 44.6° | 64.8° |
| C05 | N38 | C22 | C36 | 152.8° | 179.8° |
| C05 | N38 | C22 | C23 | 165.4° | 173.6° |
| C05 | N38 | C36 | O37 | 8.4° | 3.5° |
| C05 | N38 | C36 | C26 | 171.8° | 176.4° |
| N38 | C05 | C04 | H8 | 74.8° | 49.9° |
| N38 | C05 | C04 | H9 | 45.3° | 169.9° |
| C05 | N38 | C22 | H25 | 76.2° | 53.5° |
| C21 | C22 | N38 | C23 | 120.8° | 121.6° |
| C21 | C22 | N38 | H25 | 120.7° | 118.3° |
| C21 | C22 | N38 | C36 | 162.6° | 115.1° |
| C21 | C22 | C23 | H25 | 120.6° | 119.0° |
| C21 | C22 | C23 | O24 | 12.2° | 63.6° |
| C21 | C22 | C23 | N25 | 167.3° | 116.4° |
| C22 | C21 | H23 | H24 | 123.2° | 120.3° |
| N38 | C22 | C23 | H25 | 119.0° | 119.7° |
| C22 | N38 | C36 | O37 | 146.6° | 176.4° |
| C22 | N38 | C36 | C26 | 33.3° | 3.7° |
| N38 | C22 | C23 | O24 | 132.6° | 175.0° |
| N38 | C22 | C23 | N25 | 46.9° | 5.0° |
| C22 | N38 | C05 | H10 | 123.2° | 74.4° |
| N38 | C22 | C21 | H23 | 176.8° | 165.1° |
| N38 | C22 | C21 | H24 | 54.6° | 74.6° |
| C36 | N38 | C22 | C23 | 41.8° | 6.5° |
| N38 | C36 | O37 | C26 | 179.8° | 179.9° |
| N38 | C36 | C26 | N25 | 22.2° | 1.3° |
| N38 | C36 | C26 | C27 | 96.7° | 119.3° |
| C36 | N38 | C05 | H10 | 31.3° | 105.8° |
| C36 | N38 | C22 | H25 | 76.6° | 126.6° |
| N38 | C36 | C26 | H26 | 144.1° | 122.0° |
| C22 | C23 | O24 | N25 | 179.5° | 180.0° |
| C22 | C23 | N25 | C26 | 43.6° | 0.3° |
| C23 | C22 | C21 | H23 | 58.9° | 71.8° |
| C23 | C22 | C21 | H24 | 63.3° | 48.5° |
| C22 | C23 | N25 | H41 | 136.4° | 179.7° |
| O37 | C36 | C26 | N25 | 157.7° | 178.6° |
| O37 | C36 | C26 | C27 | 83.5° | 60.8° |
| O37 | C36 | C26 | H26 | 35.7° | 57.9° |
| C36 | C26 | N25 | C23 | 27.2° | 3.0° |
| C36 | C26 | N25 | C27 | 120.0° | 120.7° |
| C36 | C26 | N25 | H26 | 121.2° | 120.6° |
| C36 | C26 | C27 | H26 | 119.4° | 118.7° |
| C36 | C26 | C27 | C28 | 74.0° | 172.4° |
| C36 | C26 | C27 | H27 | 165.7° | 67.5° |
| C36 | C26 | C27 | H28 | 46.2° | 52.4° |
| C36 | C26 | N25 | H41 | 152.8° | 177.0° |
| O24 | C23 | N25 | C26 | 135.9° | 179.7° |
| O24 | C23 | C22 | H25 | 108.4° | 55.3° |
| O24 | C23 | N25 | H41 | 44.1° | 0.3° |
| C23 | N25 | C26 | H41 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 92.8° | 117.7° |
| N25 | C23 | C22 | H25 | 72.1° | 124.7° |
| C23 | N25 | C26 | H26 | 148.3° | 123.6° |
| N25 | C26 | C27 | H26 | 119.9° | 118.8° |
| N25 | C26 | C27 | C28 | 165.3° | 65.0° |
| N25 | C26 | C27 | H27 | 45.0° | 55.0° |
| N25 | C26 | C27 | H28 | 74.4° | 174.9° |
| C26 | C27 | C28 | H27 | 120.3° | 120.0° |
| C26 | C27 | C28 | H28 | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 157.9° | 180.0° |
| C26 | C27 | H27 | H28 | 119.1° | 120.0° |
| C26 | C27 | C28 | H29 | 82.4° | 60.0° |
| C26 | C27 | C28 | H30 | 38.2° | 60.0° |
| C27 | C26 | N25 | H41 | 87.2° | 62.4° |
| C27 | C28 | C29 | H29 | 119.7° | 120.0° |
| C27 | C28 | C29 | H30 | 119.7° | 120.0° |
| C27 | C28 | C29 | O31 | 92.4° | 180.0° |
| C27 | C28 | C29 | O30 | 84.8° | 0.0° |
| C28 | C27 | C26 | H26 | 45.4° | 53.8° |
| C28 | C27 | H27 | H28 | 119.1° | 120.0° |
| C27 | C28 | H29 | H30 | 120.9° | 120.0° |
| C28 | C29 | O31 | O30 | 177.0° | 180.0° |
| C28 | C29 | O31 | C32 | 123.1° | 180.0° |
| C29 | C28 | C27 | H27 | 37.6° | 60.0° |
| C29 | C28 | C27 | H28 | 81.8° | 60.0° |
| C29 | C28 | H29 | H30 | 120.8° | 119.9° |
| C35 | C32 | O31 | C29 | 157.8° | 60.0° |
| C35 | C32 | O31 | C33 | 119.5° | 120.0° |
| C35 | C32 | O31 | C34 | 117.5° | 120.0° |
| C35 | C32 | C33 | C34 | 117.7° | 120.0° |
| C35 | C32 | C33 | H31 | 180.0° | 180.0° |
| C35 | C32 | C33 | H32 | 60.0° | 60.0° |
| C35 | C32 | C33 | H33 | 60.0° | 60.0° |
| C35 | C32 | C34 | H34 | 180.0° | 59.9° |
| C35 | C32 | C34 | H35 | 60.0° | 60.0° |
| C35 | C32 | C34 | H36 | 60.0° | 180.0° |
| C32 | C35 | H37 | H38 | 120.0° | 120.1° |
| C32 | C35 | H37 | H39 | 120.0° | 120.0° |
| C32 | C35 | H38 | H39 | 120.0° | 120.0° |
| C29 | O31 | C32 | C33 | 38.3° | 180.0° |
| C29 | O31 | C32 | C34 | 84.6° | 60.0° |
| O31 | C29 | C28 | H29 | 27.3° | 59.9° |
| O31 | C29 | C28 | H30 | 147.9° | 60.0° |
| O31 | C32 | C33 | C34 | 123.6° | 120.1° |
| C32 | O31 | C29 | O30 | 59.9° | 0.0° |
| O31 | C32 | C33 | H31 | 61.3° | 60.0° |
| O31 | C32 | C33 | H32 | 178.7° | 59.9° |
| O31 | C32 | C33 | H33 | 58.7° | 180.0° |
| O31 | C32 | C34 | H34 | 62.3° | 179.9° |
| O31 | C32 | C34 | H35 | 57.6° | 60.0° |
| O31 | C32 | C34 | H36 | 177.7° | 60.0° |
| O31 | C32 | C35 | H37 | 180.0° | 180.0° |
| O31 | C32 | C35 | H38 | 60.0° | 60.0° |
| O31 | C32 | C35 | H39 | 60.0° | 60.0° |
| C32 | C33 | H31 | H32 | 120.0° | 120.0° |
| C32 | C33 | H31 | H33 | 120.0° | 120.0° |
| C32 | C33 | H32 | H33 | 120.0° | 120.0° |
| C33 | C32 | C34 | H34 | 61.3° | 60.0° |
| C33 | C32 | C34 | H35 | 178.7° | 180.0° |
| C33 | C32 | C34 | H36 | 58.7° | 60.0° |
| C33 | C32 | C35 | H37 | 59.1° | 60.0° |
| C33 | C32 | C35 | H38 | 179.1° | 60.0° |
| C33 | C32 | C35 | H39 | 60.9° | 180.0° |
| O30 | C29 | C28 | H29 | 155.5° | 120.0° |
| O30 | C29 | C28 | H30 | 34.9° | 120.1° |
| C34 | C32 | C33 | H31 | 62.3° | 60.0° |
| C34 | C32 | C33 | H32 | 57.7° | 180.0° |
| C34 | C32 | C33 | H33 | 177.7° | 60.0° |
| C32 | C34 | H34 | H35 | 120.0° | 120.0° |
| C32 | C34 | H34 | H36 | 120.0° | 120.0° |
| C32 | C34 | H35 | H36 | 120.0° | 120.0° |
| C34 | C32 | C35 | H37 | 60.1° | 59.9° |
| C34 | C32 | C35 | H38 | 59.9° | 180.0° |
| C34 | C32 | C35 | H39 | 179.9° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 56.5° | 59.9° |
| H2 | C01 | C02 | H4 | 63.5° | 60.0° |
| H3 | C01 | C02 | H4 | 176.5° | 180.0° |
| H4 | C02 | C03 | H5 | 56.9° | 43.9° |
| H4 | C02 | C03 | H6 | 176.9° | 163.9° |
| H4 | C02 | C03 | H7 | 63.1° | 76.1° |
| H4 | C02 | C04 | H8 | 71.7° | 163.1° |
| H4 | C02 | C04 | H9 | 168.2° | 43.1° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C04 | C05 | H10 | 164.1° | 71.1° |
| H9 | C04 | C05 | H10 | 75.8° | 48.9° |
| H12 | C12 | C13 | H13 | 22.2° | 145.5° |
| H12 | C12 | C13 | H14 | 143.7° | 24.1° |
| H12 | C12 | C16 | H19 | 129.2° | 37.4° |
| H12 | C12 | C16 | H20 | 8.2° | 160.9° |
| H13 | C13 | C14 | H15 | 29.9° | 0.0° |
| H13 | C13 | C14 | H16 | 91.8° | 121.4° |
| H14 | C13 | C14 | H15 | 151.3° | 121.4° |
| H14 | C13 | C14 | H16 | 29.7° | 0.0° |
| H15 | C14 | C15 | H17 | 144.2° | 23.0° |
| H15 | C14 | C15 | H18 | 23.3° | 145.6° |
| H16 | C14 | C15 | H17 | 22.5° | 98.4° |
| H16 | C14 | C15 | H18 | 98.4° | 24.2° |
| H17 | C15 | C16 | H19 | 7.2° | 85.0° |
| H17 | C15 | C16 | H20 | 128.1° | 38.4° |
| H18 | C15 | C16 | H19 | 113.7° | 37.6° |
| H18 | C15 | C16 | H20 | 7.2° | 161.0° |
| H21 | C17 | C18 | H22 | 0.2° | 0.1° |
| H23 | C21 | C22 | H25 | 61.8° | 47.2° |
| H24 | C21 | C22 | H25 | 176.0° | 167.5° |
| H26 | C26 | C27 | H27 | 74.9° | 173.8° |
| H26 | C26 | C27 | H28 | 165.7° | 66.3° |
| H26 | C26 | N25 | H41 | 31.7° | 56.4° |
| H27 | C27 | C28 | H29 | 157.3° | 180.0° |
| H27 | C27 | C28 | H30 | 82.1° | 60.0° |
| H28 | C27 | C28 | H29 | 37.9° | 60.0° |
| H28 | C27 | C28 | H30 | 158.5° | 180.0° |
| H31 | C33 | H32 | H33 | 120.0° | 120.0° |
| H34 | C34 | H35 | H36 | 120.0° | 120.0° |
| H37 | C35 | H38 | H39 | 120.0° | 119.9° |
