40I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.20Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C03 | N12 | sing | 1.46Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N12 | C13 | sing | 1.35Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.60Å | |
| O34 | C13 | doub | 1.21Å | 1.18Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | N19 | sing | 1.46Å | 1.47Å | |
| C05 | C06 | sing | 1.53Å | 1.43Å | |
| C05 | C10 | sing | 1.50Å | 1.58Å | |
| N19 | C20 | sing | 1.35Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.45Å | |
| C07 | C08 | sing | 1.53Å | 1.48Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| C10 | N09 | sing | 1.33Å | 1.53Å | |
| O33 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| N09 | C08 | sing | 1.46Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | N25 | sing | 1.46Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N25 | C26 | sing | 1.35Å | 1.46Å | |
| O32 | C26 | doub | 1.22Å | 1.19Å | |
| C26 | C27 | sing | 1.47Å | 1.53Å | |
| C27 | O31 | sing | 1.35Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.37Å | 1.40Å | Aromatic |
| O31 | C30 | sing | 1.34Å | 1.36Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.35Å | 1.39Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | 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 | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C02 | H13 | sing | 1.08Å | 1.08Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| N09 | H34 | sing | 0.97Å | 1.00Å | |
| N19 | H35 | sing | 0.97Å | 1.00Å | |
| N25 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 117.1° | 120.0° |
| O01 | C02 | H13 | 121.5° | 120.1° |
| C02 | C03 | N12 | 107.6° | 109.5° |
| C02 | C03 | C04 | 108.2° | 109.4° |
| C03 | C02 | H13 | 121.5° | 120.0° |
| C02 | C03 | H14 | 110.0° | 109.5° |
| C17 | C16 | C15 | 110.5° | 109.5° |
| C17 | C16 | C18 | 109.7° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.4° |
| C16 | C17 | H6 | 109.5° | 109.4° |
| C17 | C16 | H25 | 107.3° | 109.5° |
| N12 | C03 | C04 | 109.8° | 109.4° |
| C03 | N12 | C13 | 120.2° | 120.0° |
| C03 | N12 | H1 | 119.9° | 120.1° |
| N12 | C03 | H14 | 111.2° | 109.5° |
| C03 | C04 | C05 | 114.3° | 109.5° |
| C04 | C03 | H14 | 109.9° | 109.5° |
| C03 | C04 | H15 | 108.2° | 109.5° |
| C03 | C04 | H16 | 108.2° | 109.4° |
| C15 | C16 | C18 | 114.1° | 109.4° |
| C16 | C15 | C14 | 116.2° | 109.5° |
| C16 | C15 | H2 | 107.8° | 109.5° |
| C16 | C15 | H3 | 107.7° | 109.5° |
| C15 | C16 | H25 | 107.3° | 109.4° |
| C18 | C16 | H25 | 107.6° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.4° |
| C16 | C18 | H27 | 109.4° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C15 | C14 | C13 | 107.7° | 109.5° |
| C15 | C14 | N19 | 108.9° | 109.5° |
| C14 | C15 | H2 | 107.7° | 109.5° |
| C14 | C15 | H3 | 107.7° | 109.4° |
| C15 | C14 | H24 | 110.0° | 109.4° |
| N12 | C13 | O34 | 120.2° | 120.0° |
| N12 | C13 | C14 | 118.8° | 120.0° |
| C13 | N12 | H1 | 119.9° | 120.0° |
| C04 | C05 | C06 | 109.7° | 109.4° |
| C04 | C05 | C10 | 107.6° | 109.4° |
| C05 | C04 | H15 | 108.3° | 109.5° |
| C05 | C04 | H16 | 108.3° | 109.5° |
| C04 | C05 | H17 | 106.6° | 109.4° |
| O34 | C13 | C14 | 121.0° | 120.0° |
| C13 | C14 | N19 | 109.0° | 109.5° |
| C13 | C14 | H24 | 110.2° | 109.5° |
| C14 | N19 | C20 | 118.8° | 120.0° |
| N19 | C14 | H24 | 110.9° | 109.5° |
| C14 | N19 | H35 | 120.6° | 120.0° |
| C06 | C05 | C10 | 117.2° | 109.9° |
| C05 | C06 | C07 | 114.9° | 108.4° |
| C06 | C05 | H17 | 108.6° | 109.4° |
| C05 | C06 | H18 | 108.1° | 109.7° |
| C05 | C06 | H19 | 108.1° | 109.7° |
| C05 | C10 | O11 | 120.2° | 118.3° |
| C05 | C10 | N09 | 118.9° | 123.5° |
| C10 | C05 | H17 | 106.7° | 109.3° |
| N19 | C20 | O33 | 121.1° | 120.0° |
| N19 | C20 | C21 | 118.6° | 120.0° |
| C20 | N19 | H35 | 120.6° | 120.0° |
| C06 | C07 | C08 | 113.9° | 108.7° |
| C07 | C06 | H18 | 108.1° | 109.7° |
| C07 | C06 | H19 | 108.1° | 109.7° |
| C06 | C07 | H20 | 108.3° | 109.6° |
| C06 | C07 | H21 | 108.3° | 109.7° |
| C07 | C08 | N09 | 113.4° | 110.5° |
| C08 | C07 | H20 | 108.4° | 109.6° |
| C08 | C07 | H21 | 108.3° | 109.6° |
| C07 | C08 | H22 | 108.5° | 109.3° |
| C07 | C08 | H23 | 108.5° | 109.3° |
| O11 | C10 | N09 | 120.9° | 118.3° |
| C10 | N09 | C08 | 115.4° | 124.1° |
| C10 | N09 | H34 | 122.3° | 118.0° |
| O33 | C20 | C21 | 120.3° | 120.0° |
| C20 | C21 | C22 | 108.2° | 109.4° |
| C20 | C21 | N25 | 107.5° | 109.5° |
| C20 | C21 | H7 | 110.9° | 109.5° |
| N09 | C08 | H22 | 108.5° | 109.3° |
| N09 | C08 | H23 | 108.5° | 109.2° |
| C08 | N09 | H34 | 122.3° | 117.9° |
| C24 | C22 | C21 | 110.9° | 109.5° |
| C24 | C22 | C23 | 114.0° | 109.5° |
| C24 | C22 | H8 | 107.2° | 109.4° |
| C22 | C24 | H9 | 109.5° | 109.5° |
| C22 | C24 | H10 | 109.5° | 109.5° |
| C22 | C24 | H11 | 109.5° | 109.5° |
| C22 | C21 | N25 | 106.5° | 109.5° |
| C21 | C22 | C23 | 109.9° | 109.5° |
| C22 | C21 | H7 | 111.2° | 109.5° |
| C21 | C22 | H8 | 107.4° | 109.5° |
| C21 | N25 | C26 | 118.9° | 120.0° |
| N25 | C21 | H7 | 112.4° | 109.5° |
| C21 | N25 | H36 | 120.5° | 120.0° |
| C23 | C22 | H8 | 107.2° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| N25 | C26 | O32 | 119.2° | 120.0° |
| N25 | C26 | C27 | 117.9° | 120.0° |
| C26 | N25 | H36 | 120.5° | 120.0° |
| O32 | C26 | C27 | 122.9° | 120.0° |
| C26 | C27 | O31 | 126.3° | 126.0° |
| C26 | C27 | C28 | 125.8° | 126.0° |
| O31 | C27 | C28 | 107.9° | 108.0° |
| C27 | O31 | C30 | 109.6° | 109.4° |
| C27 | C28 | C29 | 107.2° | 106.7° |
| C27 | C28 | H12 | 126.4° | 126.6° |
| O31 | C30 | C29 | 108.4° | 108.8° |
| O31 | C30 | H33 | 125.8° | 125.5° |
| C28 | C29 | C30 | 106.9° | 107.1° |
| C29 | C28 | H12 | 126.4° | 126.7° |
| C28 | C29 | H32 | 126.5° | 126.5° |
| C30 | C29 | H32 | 126.6° | 126.4° |
| C29 | C30 | H33 | 125.8° | 125.7° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.4° | 109.4° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H18 | C06 | H19 | 109.5° | 109.7° |
| H20 | C07 | H21 | 109.5° | 109.6° |
| H22 | C08 | H23 | 109.5° | 109.2° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H13 | 180.0° | 180.0° |
| O01 | C02 | C03 | N12 | 172.1° | 0.1° |
| O01 | C02 | C03 | C04 | 69.3° | 120.0° |
| O01 | C02 | C03 | H14 | 50.8° | 120.0° |
| C02 | C03 | N12 | C04 | 117.5° | 119.9° |
| C02 | C03 | N12 | H14 | 120.5° | 120.1° |
| C02 | C03 | C04 | H14 | 120.2° | 120.0° |
| C02 | C03 | N12 | C13 | 121.9° | 86.6° |
| C02 | C03 | C04 | C05 | 172.1° | 176.1° |
| C02 | C03 | N12 | H1 | 58.1° | 93.4° |
| C02 | C03 | C04 | H15 | 51.4° | 63.9° |
| C02 | C03 | C04 | H16 | 67.2° | 56.1° |
| C17 | C16 | C15 | C18 | 124.2° | 120.0° |
| C17 | C16 | C15 | H25 | 116.7° | 120.0° |
| C17 | C16 | C18 | H25 | 116.5° | 120.1° |
| C17 | C16 | C15 | C14 | 166.9° | 175.0° |
| C17 | C16 | C15 | H2 | 72.1° | 55.0° |
| C17 | C16 | C15 | H3 | 45.9° | 65.0° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H6 | 120.0° | 120.0° |
| C16 | C17 | H5 | H6 | 120.0° | 119.9° |
| C17 | C16 | C18 | H26 | 180.0° | 60.0° |
| C17 | C16 | C18 | H27 | 60.0° | 59.9° |
| C17 | C16 | C18 | H28 | 60.0° | 180.0° |
| N12 | C03 | C04 | H14 | 122.7° | 120.0° |
| C03 | N12 | C13 | H1 | 180.0° | 180.0° |
| N12 | C03 | C04 | C05 | 55.0° | 64.0° |
| C03 | N12 | C13 | O34 | 0.6° | 0.0° |
| C03 | N12 | C13 | C14 | 179.2° | 180.0° |
| N12 | C03 | C02 | H13 | 7.9° | 180.0° |
| N12 | C03 | C04 | H15 | 65.7° | 56.1° |
| N12 | C03 | C04 | H16 | 175.7° | 176.1° |
| C04 | C03 | N12 | C13 | 120.6° | 153.4° |
| C03 | C04 | C05 | H15 | 120.7° | 120.0° |
| C03 | C04 | C05 | H16 | 120.7° | 120.0° |
| C03 | C04 | C05 | C06 | 56.1° | 63.7° |
| C03 | C04 | C05 | C10 | 175.4° | 175.9° |
| C04 | C03 | N12 | H1 | 59.4° | 26.5° |
| C04 | C03 | C02 | H13 | 110.7° | 60.0° |
| C03 | C04 | H15 | H16 | 117.8° | 120.0° |
| C03 | C04 | C05 | H17 | 61.3° | 56.1° |
| C15 | C16 | C18 | H25 | 118.9° | 119.9° |
| C16 | C15 | C14 | H2 | 121.0° | 120.1° |
| C16 | C15 | C14 | H3 | 121.0° | 120.0° |
| C16 | C15 | C14 | C13 | 159.6° | 175.0° |
| C16 | C15 | C14 | N19 | 82.4° | 65.0° |
| C16 | C15 | H2 | H3 | 116.9° | 120.0° |
| C15 | C16 | C17 | H4 | 180.0° | 60.0° |
| C15 | C16 | C17 | H5 | 60.0° | 180.0° |
| C15 | C16 | C17 | H6 | 60.0° | 60.0° |
| C16 | C15 | C14 | H24 | 39.4° | 55.0° |
| C15 | C16 | C18 | H26 | 55.4° | 180.0° |
| C15 | C16 | C18 | H27 | 64.6° | 60.0° |
| C15 | C16 | C18 | H28 | 175.4° | 60.0° |
| C18 | C16 | C15 | C14 | 42.7° | 65.0° |
| C18 | C16 | C15 | H2 | 163.7° | 175.0° |
| C18 | C16 | C15 | H3 | 78.2° | 55.0° |
| C18 | C16 | C17 | H4 | 53.3° | 60.0° |
| C18 | C16 | C17 | H5 | 66.7° | 60.1° |
| C18 | C16 | C17 | H6 | 173.3° | 180.0° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| C16 | C18 | H26 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.0° |
| C15 | C14 | C13 | N12 | 109.4° | 60.0° |
| C15 | C14 | C13 | O34 | 70.4° | 120.0° |
| C15 | C14 | C13 | N19 | 118.0° | 120.0° |
| C15 | C14 | C13 | H24 | 120.0° | 120.0° |
| C15 | C14 | N19 | H24 | 121.2° | 120.0° |
| C15 | C14 | N19 | C20 | 165.4° | 85.0° |
| C14 | C15 | H2 | H3 | 116.9° | 119.9° |
| C14 | C15 | C16 | H25 | 76.4° | 55.0° |
| C15 | C14 | N19 | H35 | 14.6° | 95.0° |
| N12 | C13 | O34 | C14 | 179.8° | 180.0° |
| N12 | C13 | C14 | N19 | 132.6° | 180.0° |
| C13 | N12 | C03 | H14 | 1.4° | 33.4° |
| N12 | C13 | C14 | H24 | 10.6° | 60.0° |
| C04 | C05 | C06 | C10 | 123.0° | 120.2° |
| C04 | C05 | C06 | H17 | 116.1° | 119.8° |
| C04 | C05 | C10 | H17 | 114.1° | 119.7° |
| C04 | C05 | C06 | C07 | 95.8° | 169.1° |
| C04 | C05 | C10 | O11 | 56.7° | 42.2° |
| C04 | C05 | C10 | N09 | 124.2° | 137.7° |
| C05 | C04 | C03 | H14 | 67.7° | 56.0° |
| C05 | C04 | H15 | H16 | 117.8° | 120.0° |
| C04 | C05 | C06 | H18 | 25.0° | 71.2° |
| C04 | C05 | C06 | H19 | 143.4° | 49.3° |
| O34 | C13 | C14 | N19 | 47.6° | 0.0° |
| O34 | C13 | N12 | H1 | 179.4° | 180.0° |
| O34 | C13 | C14 | H24 | 169.6° | 120.0° |
| C13 | C14 | N19 | H24 | 121.6° | 120.0° |
| C13 | C14 | N19 | C20 | 77.4° | 155.0° |
| C14 | C13 | N12 | H1 | 0.8° | 0.0° |
| C13 | C14 | C15 | H2 | 38.6° | 64.9° |
| C13 | C14 | C15 | H3 | 79.5° | 55.0° |
| C13 | C14 | N19 | H35 | 102.6° | 25.0° |
| C14 | N19 | C20 | H35 | 180.0° | 180.0° |
| C14 | N19 | C20 | O33 | 0.2° | 5.2° |
| C14 | N19 | C20 | C21 | 179.1° | 174.7° |
| N19 | C14 | C15 | H2 | 156.6° | 55.1° |
| N19 | C14 | C15 | H3 | 38.6° | 175.0° |
| C06 | C05 | C10 | H17 | 121.8° | 120.1° |
| C05 | C06 | C07 | H18 | 120.8° | 119.7° |
| C05 | C06 | C07 | H19 | 120.8° | 119.8° |
| C05 | C06 | C07 | C08 | 57.3° | 67.5° |
| C06 | C05 | C10 | O11 | 179.2° | 162.4° |
| C06 | C05 | C10 | N09 | 0.1° | 17.6° |
| C06 | C05 | C04 | H15 | 176.8° | 176.3° |
| C06 | C05 | C04 | H16 | 64.6° | 56.3° |
| C05 | C06 | H18 | H19 | 117.5° | 120.5° |
| C05 | C06 | C07 | H20 | 63.3° | 172.7° |
| C05 | C06 | C07 | H21 | 178.0° | 52.3° |
| C10 | C05 | C06 | C07 | 27.2° | 48.9° |
| C05 | C10 | O11 | N09 | 179.0° | 180.0° |
| C05 | C10 | N09 | C08 | 0.6° | 2.2° |
| C10 | C05 | C04 | H15 | 54.7° | 55.8° |
| C10 | C05 | C04 | H16 | 63.9° | 64.2° |
| C10 | C05 | C06 | H18 | 148.0° | 168.6° |
| C10 | C05 | C06 | H19 | 93.5° | 70.9° |
| C05 | C10 | N09 | H34 | 179.4° | 177.8° |
| N19 | C20 | O33 | C21 | 179.3° | 179.9° |
| N19 | C20 | C21 | C22 | 125.1° | 78.5° |
| N19 | C20 | C21 | N25 | 120.3° | 161.5° |
| N19 | C20 | C21 | H7 | 2.9° | 41.5° |
| C20 | N19 | C14 | H24 | 44.2° | 35.0° |
| C06 | C07 | C08 | H20 | 120.6° | 119.7° |
| C06 | C07 | C08 | H21 | 120.6° | 119.9° |
| C06 | C07 | C08 | N09 | 57.3° | 50.7° |
| C07 | C06 | C05 | H17 | 148.1° | 71.2° |
| C07 | C06 | H18 | H19 | 117.5° | 120.5° |
| C06 | C07 | H20 | H21 | 118.0° | 120.5° |
| C06 | C07 | C08 | H22 | 177.9° | 69.6° |
| C06 | C07 | C08 | H23 | 63.2° | 170.9° |
| C07 | C08 | N09 | C10 | 27.8° | 19.0° |
| C07 | C08 | N09 | H22 | 120.6° | 120.4° |
| C07 | C08 | N09 | H23 | 120.6° | 120.2° |
| C08 | C07 | C06 | H18 | 178.1° | 172.8° |
| C08 | C07 | C06 | H19 | 63.4° | 52.2° |
| C08 | C07 | H20 | H21 | 118.0° | 120.3° |
| C07 | C08 | H22 | H23 | 118.2° | 119.6° |
| C07 | C08 | N09 | H34 | 152.2° | 160.9° |
| O11 | C10 | N09 | C08 | 178.4° | 177.8° |
| O11 | C10 | C05 | H17 | 57.4° | 77.5° |
| O11 | C10 | N09 | H34 | 1.5° | 2.3° |
| C10 | N09 | C08 | H34 | 180.0° | 179.9° |
| N09 | C10 | C05 | H17 | 121.7° | 102.6° |
| C10 | N09 | C08 | H22 | 148.4° | 101.4° |
| C10 | N09 | C08 | H23 | 92.8° | 139.3° |
| O33 | C20 | C21 | C22 | 55.6° | 101.6° |
| O33 | C20 | C21 | N25 | 59.0° | 18.4° |
| O33 | C20 | C21 | H7 | 177.8° | 138.4° |
| O33 | C20 | N19 | H35 | 179.8° | 174.8° |
| C20 | C21 | C22 | C24 | 64.1° | 174.1° |
| C20 | C21 | C22 | N25 | 115.3° | 120.0° |
| C20 | C21 | C22 | H7 | 122.0° | 120.0° |
| C20 | C21 | N25 | H7 | 122.3° | 120.0° |
| C20 | C21 | C22 | C23 | 169.0° | 65.9° |
| C20 | C21 | N25 | C26 | 126.6° | 155.0° |
| C20 | C21 | C22 | H8 | 52.7° | 54.1° |
| C21 | C20 | N19 | H35 | 1.0° | 5.3° |
| C20 | C21 | N25 | H36 | 53.4° | 25.0° |
| N09 | C08 | C07 | H20 | 63.3° | 170.5° |
| N09 | C08 | C07 | H21 | 178.0° | 69.2° |
| N09 | C08 | H22 | H23 | 118.2° | 119.4° |
| C24 | C22 | C21 | C23 | 126.9° | 120.0° |
| C24 | C22 | C21 | H8 | 116.8° | 120.0° |
| C24 | C22 | C21 | N25 | 179.4° | 65.9° |
| C24 | C22 | C23 | H8 | 118.5° | 120.0° |
| C24 | C22 | C21 | H7 | 57.9° | 54.1° |
| C22 | C24 | H9 | H10 | 120.0° | 120.0° |
| C22 | C24 | H9 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C22 | C23 | H29 | 180.0° | 180.0° |
| C24 | C22 | C23 | H30 | 60.0° | 60.0° |
| C24 | C22 | C23 | H31 | 60.0° | 60.0° |
| C22 | C21 | N25 | H7 | 121.9° | 120.0° |
| C21 | C22 | C23 | H8 | 116.4° | 120.0° |
| C22 | C21 | N25 | C26 | 117.7° | 85.0° |
| C21 | C22 | C24 | H9 | 180.0° | 66.7° |
| C21 | C22 | C24 | H10 | 60.0° | 173.4° |
| C21 | C22 | C24 | H11 | 60.0° | 53.3° |
| C21 | C22 | C23 | H29 | 54.8° | 60.0° |
| C21 | C22 | C23 | H30 | 174.8° | 180.0° |
| C21 | C22 | C23 | H31 | 65.2° | 60.0° |
| C22 | C21 | N25 | H36 | 62.3° | 95.0° |
| N25 | C21 | C22 | C23 | 53.7° | 54.1° |
| C21 | N25 | C26 | H36 | 180.0° | 179.9° |
| C21 | N25 | C26 | O32 | 0.1° | 0.3° |
| C21 | N25 | C26 | C27 | 177.7° | 180.0° |
| N25 | C21 | C22 | H8 | 62.6° | 174.1° |
| C23 | C22 | C21 | H7 | 69.0° | 174.1° |
| C23 | C22 | C24 | H9 | 55.3° | 53.3° |
| C23 | C22 | C24 | H10 | 175.3° | 66.6° |
| C23 | C22 | C24 | H11 | 64.7° | 173.4° |
| C22 | C23 | H29 | H30 | 120.0° | 120.1° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| N25 | C26 | O32 | C27 | 177.7° | 179.7° |
| N25 | C26 | C27 | O31 | 21.8° | 0.3° |
| N25 | C26 | C27 | C28 | 155.6° | 180.0° |
| C26 | N25 | C21 | H7 | 4.3° | 35.0° |
| O32 | C26 | C27 | O31 | 160.5° | 180.0° |
| O32 | C26 | C27 | C28 | 22.1° | 0.3° |
| O32 | C26 | N25 | H36 | 179.9° | 179.7° |
| C26 | C27 | O31 | C28 | 177.8° | 179.7° |
| C26 | C27 | O31 | C30 | 178.7° | 179.9° |
| C26 | C27 | C28 | C29 | 178.7° | 179.9° |
| C26 | C27 | C28 | H12 | 1.3° | 0.1° |
| C27 | C26 | N25 | H36 | 2.3° | 0.1° |
| O31 | C27 | C28 | C29 | 0.9° | 0.2° |
| C27 | O31 | C30 | C29 | 0.6° | 0.4° |
| O31 | C27 | C28 | H12 | 179.1° | 179.8° |
| C27 | O31 | C30 | H33 | 179.4° | 179.8° |
| C28 | C27 | O31 | C30 | 0.9° | 0.4° |
| C27 | C28 | C29 | H12 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C27 | C28 | C29 | H32 | 179.5° | 180.0° |
| O31 | C30 | C29 | C28 | 0.0° | 0.2° |
| O31 | C30 | C29 | H33 | 180.0° | 179.9° |
| O31 | C30 | C29 | H32 | 180.0° | 179.8° |
| C28 | C29 | C30 | H32 | 180.0° | 180.0° |
| C28 | C29 | C30 | H33 | 180.0° | 179.9° |
| C30 | C29 | C28 | H12 | 179.5° | 180.0° |
| H1 | N12 | C03 | H14 | 178.6° | 146.5° |
| H2 | C15 | C14 | H24 | 81.6° | 175.1° |
| H2 | C15 | C16 | H25 | 44.6° | 65.0° |
| H3 | C15 | C14 | H24 | 160.4° | 65.0° |
| H3 | C15 | C16 | H25 | 162.7° | 175.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
| H4 | C17 | C16 | H25 | 63.3° | 179.9° |
| H5 | C17 | C16 | H25 | 176.7° | 60.0° |
| H6 | C17 | C16 | H25 | 56.7° | 59.9° |
| H7 | C21 | C22 | H8 | 174.7° | 65.9° |
| H7 | C21 | N25 | H36 | 175.7° | 145.0° |
| H8 | C22 | C24 | H9 | 63.1° | 173.3° |
| H8 | C22 | C24 | H10 | 56.9° | 53.4° |
| H8 | C22 | C24 | H11 | 176.9° | 66.7° |
| H8 | C22 | C23 | H29 | 61.5° | 60.0° |
| H8 | C22 | C23 | H30 | 58.5° | 60.0° |
| H8 | C22 | C23 | H31 | 178.4° | 180.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H12 | C28 | C29 | H32 | 0.5° | 0.1° |
| H13 | C02 | C03 | H14 | 129.2° | 60.0° |
| H14 | C03 | C04 | H15 | 171.6° | 176.1° |
| H14 | C03 | C04 | H16 | 53.0° | 63.9° |
| H15 | C04 | C05 | H17 | 59.4° | 63.9° |
| H16 | C04 | C05 | H17 | 178.1° | 176.1° |
| H17 | C05 | C06 | H18 | 91.1° | 48.6° |
| H17 | C05 | C06 | H19 | 27.3° | 169.1° |
| H18 | C06 | C07 | H20 | 57.5° | 53.0° |
| H18 | C06 | C07 | H21 | 61.2° | 67.4° |
| H19 | C06 | C07 | H20 | 175.9° | 67.5° |
| H19 | C06 | C07 | H21 | 57.2° | 172.1° |
| H20 | C07 | C08 | H22 | 57.3° | 50.1° |
| H20 | C07 | C08 | H23 | 176.1° | 69.4° |
| H21 | C07 | C08 | H22 | 61.4° | 170.5° |
| H21 | C07 | C08 | H23 | 57.4° | 51.0° |
| H22 | C08 | N09 | H34 | 31.6° | 78.7° |
| H23 | C08 | N09 | H34 | 87.2° | 40.7° |
| H24 | C14 | N19 | H35 | 135.8° | 145.0° |
| H25 | C16 | C18 | H26 | 63.5° | 60.1° |
| H25 | C16 | C18 | H27 | 176.5° | 180.0° |
| H25 | C16 | C18 | H28 | 56.5° | 59.9° |
| H26 | C18 | H27 | H28 | 120.0° | 120.1° |
| H29 | C23 | H30 | H31 | 120.0° | 119.9° |
| H32 | C29 | C30 | H33 | 0.0° | 0.1° |
