00P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C18 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| N2 | HN2A | sing | 1.01Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C08 | N07 | sing | 1.35Å | 1.40Å | |
| C12 | N07 | sing | 1.35Å | 1.38Å | |
| N07 | C31 | sing | 1.47Å | 1.45Å | |
| N10 | C08 | sing | 1.33Å | 1.40Å | |
| O09 | C08 | doub | 1.22Å | 1.23Å | |
| C14 | N10 | sing | 1.47Å | 1.46Å | |
| N10 | N11 | sing | 1.42Å | 1.39Å | |
| C17 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.33Å | 1.38Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.31Å | 1.35Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.51Å | 1.57Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O19 | C18 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | S33 | sing | 1.81Å | 1.76Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O35 | S33 | doub | 1.42Å | 1.48Å | |
| C36 | S33 | sing | 1.76Å | 1.79Å | |
| S33 | O34 | doub | 1.42Å | 1.43Å | |
| C41 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N1 | 117.0° | 109.5° |
| C2 | C1 | H1 | 107.0° | 109.5° |
| C2 | C1 | H1A | 107.0° | 109.4° |
| C1 | C2 | C7 | 111.9° | 109.4° |
| C1 | C2 | C3 | 111.4° | 109.4° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| N1 | C1 | H1 | 107.0° | 109.5° |
| N1 | C1 | H1A | 107.0° | 109.5° |
| C1 | N1 | C18 | 124.1° | 120.0° |
| C1 | N1 | HN1 | 118.0° | 120.0° |
| H1 | C1 | H1A | 111.8° | 109.5° |
| C18 | N1 | HN1 | 117.9° | 120.0° |
| N1 | C18 | C17 | 116.6° | 120.0° |
| N1 | C18 | O19 | 121.3° | 120.0° |
| C7 | C2 | C3 | 113.9° | 109.5° |
| C7 | C2 | H2 | 105.3° | 109.5° |
| C2 | C7 | C6 | 115.2° | 109.4° |
| C2 | C7 | H7 | 107.6° | 109.5° |
| C2 | C7 | H7A | 107.6° | 109.5° |
| C3 | C2 | H2 | 105.8° | 109.5° |
| C2 | C3 | C4 | 114.5° | 109.4° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| C2 | C3 | H3A | 107.8° | 109.5° |
| C5 | N2 | HN2 | 109.5° | 111.0° |
| C5 | N2 | HN2A | 109.5° | 111.0° |
| N2 | C5 | C4 | 112.6° | 109.5° |
| N2 | C5 | C6 | 114.2° | 109.5° |
| N2 | C5 | H5 | 103.0° | 109.5° |
| HN2 | N2 | HN2A | 109.5° | 111.0° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C4 | C3 | H3A | 107.8° | 109.5° |
| C3 | C4 | C5 | 108.2° | 109.5° |
| C3 | C4 | H4 | 109.9° | 109.5° |
| C3 | C4 | H4A | 109.9° | 109.5° |
| H3 | C3 | H3A | 111.1° | 109.5° |
| C5 | C4 | H4 | 109.9° | 109.5° |
| C5 | C4 | H4A | 109.9° | 109.5° |
| C4 | C5 | C6 | 106.6° | 109.4° |
| C4 | C5 | H5 | 111.1° | 109.5° |
| H4 | C4 | H4A | 109.1° | 109.4° |
| C6 | C5 | H5 | 109.4° | 109.5° |
| C5 | C6 | C7 | 108.8° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.4° |
| C5 | C6 | H6A | 109.7° | 109.5° |
| C7 | C6 | H6 | 109.7° | 109.5° |
| C7 | C6 | H6A | 109.7° | 109.5° |
| C6 | C7 | H7 | 107.6° | 109.4° |
| C6 | C7 | H7A | 107.6° | 109.4° |
| H6 | C6 | H6A | 109.3° | 109.5° |
| H7 | C7 | H7A | 111.3° | 109.5° |
| C08 | N07 | C12 | 109.2° | 109.3° |
| C08 | N07 | C31 | 124.4° | 125.4° |
| N07 | C08 | N10 | 106.7° | 108.1° |
| N07 | C08 | O09 | 128.4° | 125.9° |
| C12 | N07 | C31 | 126.1° | 125.3° |
| N07 | C12 | N11 | 107.3° | 108.1° |
| N07 | C12 | O13 | 128.9° | 125.9° |
| N07 | C31 | C32 | 116.0° | 109.5° |
| N07 | C31 | H31 | 107.4° | 109.4° |
| N07 | C31 | H31A | 107.3° | 109.4° |
| N10 | C08 | O09 | 124.9° | 125.9° |
| C08 | N10 | C14 | 126.1° | 131.9° |
| C08 | N10 | N11 | 107.9° | 107.2° |
| C14 | N10 | N11 | 120.8° | 120.9° |
| N10 | C14 | C15 | 109.0° | 107.5° |
| N10 | C14 | H14 | 109.6° | 109.8° |
| N10 | C14 | H14A | 109.6° | 109.9° |
| N10 | N11 | C17 | 123.2° | 120.9° |
| N10 | N11 | C12 | 108.9° | 107.2° |
| C17 | N11 | C12 | 127.7° | 131.8° |
| N11 | C17 | C16 | 108.9° | 107.5° |
| N11 | C17 | C18 | 107.8° | 109.9° |
| N11 | C17 | H17 | 109.9° | 109.9° |
| N11 | C12 | O13 | 123.7° | 125.9° |
| C15 | C14 | H14 | 109.6° | 109.8° |
| C15 | C14 | H14A | 109.6° | 110.0° |
| C14 | C15 | C16 | 120.0° | 122.3° |
| C14 | C15 | H15 | 120.0° | 118.9° |
| H14 | C14 | H14A | 109.3° | 109.8° |
| C16 | C15 | H15 | 120.0° | 118.9° |
| C15 | C16 | C17 | 126.5° | 122.3° |
| C15 | C16 | H16 | 116.7° | 118.8° |
| C17 | C16 | H16 | 116.7° | 118.9° |
| C16 | C17 | C18 | 106.2° | 109.9° |
| C16 | C17 | H17 | 111.4° | 109.8° |
| C18 | C17 | H17 | 112.5° | 109.9° |
| C17 | C18 | O19 | 121.6° | 120.0° |
| C32 | C31 | H31 | 107.4° | 109.5° |
| C32 | C31 | H31A | 107.4° | 109.5° |
| C31 | C32 | S33 | 99.0° | 109.5° |
| C31 | C32 | H32 | 113.1° | 109.5° |
| C31 | C32 | H32A | 113.1° | 109.5° |
| H31 | C31 | H31A | 111.5° | 109.5° |
| S33 | C32 | H32 | 113.1° | 109.5° |
| S33 | C32 | H32A | 113.1° | 109.4° |
| C32 | S33 | O35 | 106.4° | 110.5° |
| C32 | S33 | C36 | 109.7° | 104.4° |
| C32 | S33 | O34 | 113.8° | 110.6° |
| H32 | C32 | H32A | 105.6° | 109.4° |
| O35 | S33 | C36 | 102.2° | 104.3° |
| O35 | S33 | O34 | 117.7° | 121.1° |
| C36 | S33 | O34 | 106.3° | 104.3° |
| S33 | C36 | C41 | 118.9° | 120.0° |
| S33 | C36 | C37 | 120.5° | 120.0° |
| C41 | C36 | C37 | 120.5° | 120.0° |
| C36 | C41 | C40 | 120.4° | 120.0° |
| C36 | C41 | H41 | 119.8° | 120.0° |
| C36 | C37 | C38 | 118.9° | 120.0° |
| C36 | C37 | H37 | 120.6° | 120.0° |
| C38 | C37 | H37 | 120.6° | 120.0° |
| C37 | C38 | C39 | 120.6° | 120.0° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| C39 | C38 | H38 | 119.7° | 120.0° |
| C38 | C39 | C40 | 120.6° | 119.9° |
| C38 | C39 | H39 | 119.7° | 120.0° |
| C40 | C39 | H39 | 119.7° | 120.0° |
| C39 | C40 | C41 | 119.0° | 120.0° |
| C39 | C40 | H40 | 120.5° | 119.9° |
| C41 | C40 | H40 | 120.6° | 120.0° |
| C40 | C41 | H41 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N1 | H1 | 120.0° | 120.0° |
| C2 | C1 | N1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 116.9° | 120.0° |
| C2 | C1 | N1 | C18 | 142.8° | 180.0° |
| C2 | C1 | N1 | HN1 | 37.2° | 0.0° |
| C1 | C2 | C7 | C3 | 127.4° | 120.0° |
| C1 | C2 | C7 | H2 | 117.2° | 120.0° |
| C1 | C2 | C3 | H2 | 117.2° | 120.0° |
| C1 | C2 | C3 | C4 | 164.4° | 180.0° |
| C1 | C2 | C3 | H3 | 44.4° | 60.0° |
| C1 | C2 | C3 | H3A | 75.6° | 60.0° |
| C1 | C2 | C7 | C6 | 163.4° | 180.0° |
| C1 | C2 | C7 | H7 | 76.6° | 60.0° |
| C1 | C2 | C7 | H7A | 43.4° | 60.0° |
| N1 | C1 | H1 | H1A | 116.9° | 120.0° |
| C1 | N1 | C18 | HN1 | 180.0° | 180.0° |
| N1 | C1 | C2 | C7 | 68.2° | 65.0° |
| N1 | C1 | C2 | C3 | 60.5° | 175.0° |
| N1 | C1 | C2 | H2 | 176.3° | 55.0° |
| C1 | N1 | C18 | C17 | 135.7° | 180.0° |
| C1 | N1 | C18 | O19 | 53.0° | 0.0° |
| H1 | C1 | N1 | C18 | 22.8° | 60.0° |
| H1 | C1 | N1 | HN1 | 157.2° | 120.0° |
| H1 | C1 | C2 | C7 | 51.8° | 55.0° |
| H1 | C1 | C2 | C3 | 179.5° | 65.0° |
| H1 | C1 | C2 | H2 | 63.7° | 175.0° |
| H1A | C1 | N1 | C18 | 97.2° | 60.0° |
| H1A | C1 | N1 | HN1 | 82.8° | 120.0° |
| H1A | C1 | C2 | C7 | 171.8° | 175.0° |
| H1A | C1 | C2 | C3 | 59.5° | 55.0° |
| H1A | C1 | C2 | H2 | 56.3° | 64.9° |
| N1 | C18 | C17 | N11 | 107.8° | 178.0° |
| N1 | C18 | C17 | C16 | 135.6° | 60.0° |
| N1 | C18 | C17 | O19 | 171.3° | 180.0° |
| N1 | C18 | C17 | H17 | 13.5° | 60.9° |
| HN1 | N1 | C18 | C17 | 44.3° | 0.0° |
| HN1 | N1 | C18 | O19 | 127.0° | 180.0° |
| C7 | C2 | C3 | H2 | 115.2° | 120.1° |
| C7 | C2 | C3 | C4 | 36.8° | 60.0° |
| C7 | C2 | C3 | H3 | 83.2° | 59.9° |
| C7 | C2 | C3 | H3A | 156.8° | 180.0° |
| C2 | C7 | C6 | C5 | 52.1° | 60.0° |
| C2 | C7 | C6 | H7 | 120.0° | 120.0° |
| C2 | C7 | C6 | H7A | 120.0° | 120.0° |
| C2 | C7 | C6 | H6 | 172.1° | 180.0° |
| C2 | C7 | C6 | H6A | 67.9° | 60.0° |
| C2 | C7 | H7 | H7A | 117.7° | 120.1° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 117.9° | 120.0° |
| C2 | C3 | C4 | C5 | 53.4° | 60.0° |
| C2 | C3 | C4 | H4 | 173.4° | 180.0° |
| C2 | C3 | C4 | H4A | 66.6° | 60.0° |
| C3 | C2 | C7 | C6 | 36.0° | 60.0° |
| C3 | C2 | C7 | H7 | 156.0° | 180.0° |
| C3 | C2 | C7 | H7A | 84.0° | 59.9° |
| H2 | C2 | C3 | C4 | 78.4° | 60.0° |
| H2 | C2 | C3 | H3 | 161.6° | 180.0° |
| H2 | C2 | C3 | H3A | 41.7° | 60.0° |
| H2 | C2 | C7 | C6 | 79.5° | 60.0° |
| H2 | C2 | C7 | H7 | 40.5° | 60.0° |
| H2 | C2 | C7 | H7A | 160.5° | 179.9° |
| C5 | N2 | HN2 | HN2A | 120.0° | 124.0° |
| N2 | C5 | C4 | C3 | 165.2° | 180.0° |
| N2 | C5 | C4 | C6 | 125.9° | 120.0° |
| N2 | C5 | C4 | H5 | 115.0° | 120.0° |
| N2 | C5 | C4 | H4 | 45.3° | 60.0° |
| N2 | C5 | C4 | H4A | 74.8° | 60.0° |
| N2 | C5 | C6 | H5 | 114.8° | 120.0° |
| N2 | C5 | C6 | C7 | 167.0° | 180.0° |
| N2 | C5 | C6 | H6 | 47.0° | 60.0° |
| N2 | C5 | C6 | H6A | 73.0° | 60.0° |
| HN2 | N2 | C5 | C4 | 180.0° | 180.0° |
| HN2 | N2 | C5 | C6 | 58.3° | 60.0° |
| HN2 | N2 | C5 | H5 | 60.2° | 60.0° |
| HN2A | N2 | C5 | C4 | 60.0° | 56.1° |
| HN2A | N2 | C5 | C6 | 178.3° | 176.0° |
| HN2A | N2 | C5 | H5 | 59.8° | 64.0° |
| C4 | C3 | H3 | H3A | 118.0° | 120.1° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 68.9° | 60.0° |
| C3 | C4 | C5 | H5 | 50.3° | 60.0° |
| H3 | C3 | C4 | C5 | 66.6° | 60.0° |
| H3 | C3 | C4 | H4 | 53.4° | 60.1° |
| H3 | C3 | C4 | H4A | 173.4° | 180.0° |
| H3A | C3 | C4 | C5 | 173.4° | 180.0° |
| H3A | C3 | C4 | H4 | 66.6° | 60.0° |
| H3A | C3 | C4 | H4A | 53.4° | 60.0° |
| C5 | C4 | H4 | H4A | 120.5° | 120.0° |
| C4 | C5 | C6 | H5 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 68.1° | 60.0° |
| C4 | C5 | C6 | H6 | 171.9° | 180.0° |
| C4 | C5 | C6 | H6A | 51.9° | 60.0° |
| H4 | C4 | C5 | C6 | 171.2° | 180.0° |
| H4 | C4 | C5 | H5 | 69.7° | 60.0° |
| H4A | C4 | C5 | C6 | 51.1° | 60.0° |
| H4A | C4 | C5 | H5 | 170.3° | 180.0° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 120.3° | 120.0° |
| C5 | C6 | C7 | H7 | 172.1° | 179.9° |
| C5 | C6 | C7 | H7A | 67.9° | 60.0° |
| H5 | C5 | C6 | C7 | 52.1° | 60.0° |
| H5 | C5 | C6 | H6 | 67.9° | 60.0° |
| H5 | C5 | C6 | H6A | 172.1° | 180.0° |
| C7 | C6 | H6 | H6A | 120.3° | 120.0° |
| C6 | C7 | H7 | H7A | 117.6° | 120.0° |
| H6 | C6 | C7 | H7 | 67.9° | 60.0° |
| H6 | C6 | C7 | H7A | 52.1° | 60.0° |
| H6A | C6 | C7 | H7 | 52.1° | 60.0° |
| H6A | C6 | C7 | H7A | 172.1° | 180.0° |
| C08 | N07 | C12 | C31 | 174.0° | 179.8° |
| N07 | C08 | N10 | O09 | 179.8° | 180.0° |
| N07 | C08 | N10 | C14 | 153.7° | 179.9° |
| N07 | C08 | N10 | N11 | 0.5° | 0.0° |
| C08 | N07 | C12 | N11 | 0.5° | 0.4° |
| C08 | N07 | C12 | O13 | 177.4° | 180.0° |
| C08 | N07 | C31 | C32 | 141.8° | 90.0° |
| C08 | N07 | C31 | H31 | 98.1° | 150.0° |
| C08 | N07 | C31 | H31A | 21.8° | 30.0° |
| C12 | N07 | C08 | N10 | 0.6° | 0.3° |
| C12 | N07 | C08 | O09 | 179.1° | 179.7° |
| N07 | C12 | N11 | N10 | 0.2° | 0.4° |
| N07 | C12 | N11 | C17 | 174.6° | 179.9° |
| N07 | C12 | N11 | O13 | 178.0° | 179.6° |
| C12 | N07 | C31 | C32 | 45.0° | 90.3° |
| C12 | N07 | C31 | H31 | 75.0° | 29.7° |
| C12 | N07 | C31 | H31A | 165.0° | 149.8° |
| C31 | N07 | C08 | N10 | 174.8° | 180.0° |
| C31 | N07 | C08 | O09 | 5.0° | 0.1° |
| C31 | N07 | C12 | N11 | 174.6° | 179.8° |
| C31 | N07 | C12 | O13 | 3.3° | 0.2° |
| N07 | C31 | C32 | H31 | 120.0° | 120.0° |
| N07 | C31 | C32 | H31A | 120.0° | 119.9° |
| N07 | C31 | H31 | H31A | 117.3° | 119.9° |
| N07 | C31 | C32 | S33 | 105.6° | 180.0° |
| N07 | C31 | C32 | H32 | 14.4° | 60.0° |
| N07 | C31 | C32 | H32A | 134.5° | 60.0° |
| C08 | N10 | C14 | N11 | 151.2° | 179.9° |
| C08 | N10 | N11 | C17 | 174.5° | 180.0° |
| C08 | N10 | N11 | C12 | 0.2° | 0.3° |
| C08 | N10 | C14 | C15 | 169.6° | 147.4° |
| C08 | N10 | C14 | H14 | 70.4° | 28.0° |
| C08 | N10 | C14 | H14A | 49.6° | 92.9° |
| O09 | C08 | N10 | C14 | 26.5° | 0.1° |
| O09 | C08 | N10 | N11 | 179.3° | 180.0° |
| C14 | N10 | N11 | C17 | 29.6° | 0.0° |
| C14 | N10 | N11 | C12 | 155.7° | 179.6° |
| N10 | C14 | C15 | H14 | 120.0° | 119.4° |
| N10 | C14 | C15 | H14A | 120.0° | 119.6° |
| N10 | C14 | H14 | H14A | 120.2° | 121.0° |
| N10 | C14 | C15 | C16 | 22.9° | 33.2° |
| N10 | C14 | C15 | H15 | 157.1° | 146.8° |
| N10 | N11 | C17 | C12 | 173.7° | 179.6° |
| N10 | N11 | C12 | O13 | 177.8° | 180.0° |
| N11 | N10 | C14 | C15 | 39.2° | 32.7° |
| N11 | N10 | C14 | H14 | 80.8° | 152.1° |
| N11 | N10 | C14 | H14A | 159.2° | 87.0° |
| N10 | N11 | C17 | C16 | 0.6° | 32.6° |
| N10 | N11 | C17 | C18 | 114.3° | 86.9° |
| N10 | N11 | C17 | H17 | 122.8° | 152.0° |
| C17 | N11 | C12 | O13 | 3.4° | 0.4° |
| N11 | C17 | C16 | C15 | 16.0° | 33.2° |
| N11 | C17 | C16 | C18 | 115.8° | 119.5° |
| N11 | C17 | C16 | H17 | 121.4° | 119.5° |
| N11 | C17 | C16 | H16 | 164.0° | 146.9° |
| N11 | C17 | C18 | H17 | 121.3° | 121.0° |
| N11 | C17 | C18 | O19 | 63.5° | 2.0° |
| C12 | N11 | C17 | C16 | 174.3° | 147.8° |
| C12 | N11 | C17 | C18 | 59.4° | 92.7° |
| C12 | N11 | C17 | H17 | 63.5° | 28.4° |
| C15 | C14 | H14 | H14A | 120.2° | 121.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 3.8° | 0.0° |
| C14 | C15 | C16 | H16 | 176.2° | 179.9° |
| H14 | C14 | C15 | C16 | 97.1° | 152.6° |
| H14 | C14 | C15 | H15 | 82.9° | 27.4° |
| H14A | C14 | C15 | C16 | 142.9° | 86.4° |
| H14A | C14 | C15 | H15 | 37.1° | 93.5° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 131.8° | 86.4° |
| C15 | C16 | C17 | H17 | 105.4° | 152.6° |
| H15 | C15 | C16 | C17 | 176.2° | 179.9° |
| H15 | C15 | C16 | H16 | 3.8° | 0.0° |
| C16 | C17 | C18 | H17 | 122.1° | 120.9° |
| C16 | C17 | C18 | O19 | 53.1° | 120.0° |
| H16 | C16 | C17 | C18 | 48.2° | 93.6° |
| H16 | C16 | C17 | H17 | 74.6° | 27.4° |
| H17 | C17 | C18 | O19 | 175.2° | 119.1° |
| C32 | C31 | H31 | H31A | 117.3° | 120.1° |
| C31 | C32 | S33 | H32 | 120.0° | 120.1° |
| C31 | C32 | S33 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 124.3° | 120.1° |
| C31 | C32 | S33 | O35 | 38.0° | 68.4° |
| C31 | C32 | S33 | C36 | 71.9° | 180.0° |
| C31 | C32 | S33 | O34 | 169.1° | 68.4° |
| H31 | C31 | C32 | S33 | 134.4° | 60.0° |
| H31 | C31 | C32 | H32 | 105.6° | 180.0° |
| H31 | C31 | C32 | H32A | 14.4° | 60.0° |
| H31A | C31 | C32 | S33 | 14.4° | 60.1° |
| H31A | C31 | C32 | H32 | 134.4° | 59.9° |
| H31A | C31 | C32 | H32A | 105.6° | 179.9° |
| S33 | C32 | H32 | H32A | 124.2° | 119.9° |
| C32 | S33 | O35 | C36 | 115.1° | 111.7° |
| C32 | S33 | O35 | O34 | 128.9° | 131.5° |
| C32 | S33 | C36 | O34 | 123.4° | 116.1° |
| C32 | S33 | C36 | C41 | 69.3° | 90.3° |
| C32 | S33 | C36 | C37 | 113.3° | 90.0° |
| H32 | C32 | S33 | O35 | 157.9° | 51.7° |
| H32 | C32 | S33 | C36 | 48.1° | 59.9° |
| H32 | C32 | S33 | O34 | 70.9° | 171.6° |
| H32A | C32 | S33 | O35 | 82.0° | 171.6° |
| H32A | C32 | S33 | C36 | 168.1° | 60.0° |
| H32A | C32 | S33 | O34 | 49.1° | 51.7° |
| O35 | S33 | C36 | O34 | 124.0° | 127.9° |
| O35 | S33 | C36 | C41 | 43.2° | 25.8° |
| O35 | S33 | C36 | C37 | 134.1° | 153.9° |
| S33 | C36 | C41 | C37 | 177.3° | 179.7° |
| S33 | C36 | C37 | C38 | 178.1° | 180.0° |
| S33 | C36 | C37 | H37 | 1.9° | 0.0° |
| S33 | C36 | C41 | C40 | 178.5° | 179.7° |
| S33 | C36 | C41 | H41 | 1.5° | 0.3° |
| O34 | S33 | C36 | C41 | 167.2° | 153.6° |
| O34 | S33 | C36 | C37 | 10.1° | 26.1° |
| C41 | C36 | C37 | C38 | 0.8° | 0.3° |
| C41 | C36 | C37 | H37 | 179.2° | 179.7° |
| C36 | C41 | C40 | C39 | 0.8° | 0.7° |
| C36 | C41 | C40 | H41 | 180.0° | 179.3° |
| C36 | C41 | C40 | H40 | 179.2° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| C37 | C36 | C41 | C40 | 1.2° | 0.7° |
| C37 | C36 | C41 | H41 | 178.8° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.3° | 0.0° |
| C37 | C38 | C39 | H39 | 179.8° | 180.0° |
| H37 | C37 | C38 | C39 | 179.9° | 180.0° |
| H37 | C37 | C38 | H38 | 0.1° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.4° |
| C38 | C39 | C40 | H40 | 179.9° | 180.0° |
| H38 | C38 | C39 | C40 | 179.7° | 179.9° |
| H38 | C38 | C39 | H39 | 0.2° | 0.0° |
| C39 | C40 | C41 | H40 | 180.0° | 179.7° |
| C39 | C40 | C41 | H41 | 179.2° | 180.0° |
| H39 | C39 | C40 | C41 | 179.9° | 179.7° |
| H39 | C39 | C40 | H40 | 0.1° | 0.1° |
| H40 | C40 | C41 | H41 | 0.8° | 0.3° |
