OSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| N1 | C4 | sing | 1.35Å | 1.38Å | |
| C2 | C5 | sing | 1.54Å | 1.55Å | |
| C2 | C6 | sing | 1.52Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C7 | sing | 1.54Å | 1.54Å | |
| C3 | C8 | sing | 1.51Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C9 | sing | 1.51Å | 1.52Å | |
| C4 | O10 | doub | 1.21Å | 1.22Å | |
| C5 | C7 | sing | 1.56Å | 1.55Å | |
| C5 | C11 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C12 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | N13 | sing | 1.35Å | 1.35Å | |
| C8 | O14 | doub | 1.21Å | 1.22Å | |
| C9 | C15 | sing | 1.53Å | 1.54Å | |
| C9 | N16 | sing | 1.47Å | 1.46Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C11 | C17 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C17 | sing | 1.53Å | 1.55Å | |
| C12 | O18 | sing | 1.43Å | 1.43Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| N13 | C19 | sing | 1.46Å | 1.47Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C15 | C20 | sing | 1.51Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N16 | C21 | sing | 1.35Å | 1.36Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| C21 | O26 | doub | 1.21Å | 1.22Å | |
| C22 | C27 | sing | 1.51Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C30 | sing | 1.53Å | 1.54Å | |
| C25 | O31 | sing | 1.43Å | 1.43Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C27 | C32 | sing | 1.51Å | 1.50Å | |
| C27 | C33 | doub | 1.30Å | 1.31Å | |
| C28 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C35 | sing | 1.51Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C32 | N36 | sing | 1.47Å | 1.47Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C37 | sing | 1.51Å | 1.50Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| N36 | C37 | sing | 1.47Å | 1.48Å | |
| N36 | C40 | sing | 1.37Å | 1.38Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | N43 | doub | 1.30Å | 1.38Å | |
| C40 | N44 | sing | 1.38Å | 1.30Å | |
| C41 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| N43 | H43 | sing | 0.97Å | 1.02Å | |
| N44 | H441 | sing | 0.97Å | 1.02Å | |
| N44 | H442 | sing | 0.97Å | 1.02Å | |
| C45 | H45 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 107.8° | 107.8° |
| C2 | N1 | C4 | 126.2° | 126.0° |
| N1 | C2 | C5 | 102.5° | 105.7° |
| N1 | C2 | C6 | 111.1° | 112.5° |
| N1 | C2 | H2 | 114.6° | 107.7° |
| C3 | N1 | C4 | 126.1° | 126.2° |
| N1 | C3 | C7 | 106.2° | 107.3° |
| N1 | C3 | C8 | 111.6° | 109.9° |
| N1 | C3 | H3 | 110.3° | 109.9° |
| N1 | C4 | C9 | 120.3° | 120.0° |
| N1 | C4 | O10 | 120.5° | 120.0° |
| C5 | C2 | C6 | 114.1° | 112.7° |
| C5 | C2 | H2 | 111.7° | 109.6° |
| C2 | C5 | C7 | 100.3° | 100.5° |
| C2 | C5 | C11 | 113.9° | 111.2° |
| C2 | C5 | H5 | 112.4° | 112.6° |
| C6 | C2 | H2 | 103.2° | 108.6° |
| C2 | C6 | C12 | 112.7° | 111.9° |
| C2 | C6 | H61 | 111.0° | 109.1° |
| C2 | C6 | H62 | 111.0° | 108.5° |
| C7 | C3 | C8 | 109.5° | 109.9° |
| C7 | C3 | H3 | 112.3° | 109.9° |
| C3 | C7 | C5 | 101.9° | 102.6° |
| C3 | C7 | H71 | 115.1° | 110.8° |
| C3 | C7 | H72 | 115.1° | 110.8° |
| C8 | C3 | H3 | 107.0° | 109.8° |
| C3 | C8 | N13 | 119.7° | 120.0° |
| C3 | C8 | O14 | 119.4° | 120.0° |
| C9 | C4 | O10 | 119.2° | 120.0° |
| C4 | C9 | C15 | 111.2° | 109.5° |
| C4 | C9 | N16 | 108.4° | 109.5° |
| C4 | C9 | H9 | 109.5° | 109.5° |
| C7 | C5 | C11 | 108.9° | 106.6° |
| C7 | C5 | H5 | 117.2° | 112.8° |
| C5 | C7 | H71 | 115.1° | 110.8° |
| C5 | C7 | H72 | 115.1° | 110.7° |
| C11 | C5 | H5 | 104.4° | 112.4° |
| C5 | C11 | C17 | 115.4° | 110.7° |
| C5 | C11 | H111 | 110.1° | 109.3° |
| C5 | C11 | H112 | 110.1° | 109.2° |
| C12 | C6 | H61 | 111.0° | 109.1° |
| C12 | C6 | H62 | 111.0° | 109.1° |
| C6 | C12 | C17 | 108.5° | 108.4° |
| C6 | C12 | O18 | 110.5° | 109.8° |
| C6 | C12 | H12 | 109.7° | 109.6° |
| H61 | C6 | H62 | 99.3° | 109.0° |
| H71 | C7 | H72 | 95.4° | 110.8° |
| N13 | C8 | O14 | 120.9° | 120.0° |
| C8 | N13 | C19 | 120.7° | 120.0° |
| C8 | N13 | H13 | 115.6° | 120.0° |
| C15 | C9 | N16 | 110.8° | 109.5° |
| C15 | C9 | H9 | 107.0° | 109.5° |
| C9 | C15 | C20 | 110.1° | 109.5° |
| C9 | C15 | H151 | 112.0° | 109.5° |
| C9 | C15 | H152 | 112.0° | 109.5° |
| N16 | C9 | H9 | 109.9° | 109.5° |
| C9 | N16 | C21 | 120.5° | 120.0° |
| C9 | N16 | H16 | 123.3° | 119.9° |
| C17 | C11 | H111 | 110.1° | 109.3° |
| C17 | C11 | H112 | 110.1° | 109.2° |
| C11 | C17 | C12 | 111.1° | 108.7° |
| C11 | C17 | H171 | 111.6° | 109.6° |
| C11 | C17 | H172 | 111.6° | 109.6° |
| H111 | C11 | H112 | 100.1° | 109.2° |
| C17 | C12 | O18 | 110.2° | 109.7° |
| C17 | C12 | H12 | 110.0° | 109.6° |
| C12 | C17 | H171 | 111.6° | 109.6° |
| C12 | C17 | H172 | 111.6° | 109.6° |
| O18 | C12 | H12 | 108.0° | 109.7° |
| C12 | O18 | H18 | 110.5° | 106.9° |
| C19 | N13 | H13 | 123.7° | 120.0° |
| N13 | C19 | C22 | 110.2° | 109.4° |
| N13 | C19 | H191 | 111.9° | 109.5° |
| N13 | C19 | H192 | 111.9° | 109.5° |
| C20 | C15 | H151 | 112.0° | 109.5° |
| C20 | C15 | H152 | 112.0° | 109.4° |
| C15 | C20 | C23 | 120.0° | 120.0° |
| C15 | C20 | C24 | 120.4° | 120.1° |
| H151 | C15 | H152 | 98.4° | 109.5° |
| C21 | N16 | H16 | 116.2° | 120.1° |
| N16 | C21 | C25 | 119.4° | 120.0° |
| N16 | C21 | O26 | 120.9° | 120.0° |
| H171 | C17 | H172 | 98.8° | 109.7° |
| C22 | C19 | H191 | 111.9° | 109.5° |
| C22 | C19 | H192 | 111.9° | 109.4° |
| C19 | C22 | C27 | 111.9° | 109.5° |
| C19 | C22 | H221 | 111.3° | 109.5° |
| C19 | C22 | H222 | 111.3° | 109.4° |
| H191 | C19 | H192 | 98.5° | 109.5° |
| C23 | C20 | C24 | 119.6° | 120.0° |
| C20 | C23 | C28 | 120.2° | 120.0° |
| C20 | C23 | H23 | 119.9° | 120.1° |
| C20 | C24 | C29 | 120.1° | 120.0° |
| C20 | C24 | H24 | 120.3° | 119.9° |
| C25 | C21 | O26 | 119.8° | 120.0° |
| C21 | C25 | C30 | 110.8° | 109.5° |
| C21 | C25 | O31 | 109.2° | 109.4° |
| C21 | C25 | H25 | 108.9° | 109.4° |
| C27 | C22 | H221 | 111.3° | 109.5° |
| C27 | C22 | H222 | 111.3° | 109.4° |
| C22 | C27 | C32 | 123.7° | 125.0° |
| C22 | C27 | C33 | 126.3° | 125.0° |
| H221 | C22 | H222 | 99.0° | 109.5° |
| C28 | C23 | H23 | 119.9° | 119.9° |
| C23 | C28 | C34 | 120.0° | 120.0° |
| C23 | C28 | H28 | 120.1° | 120.0° |
| C29 | C24 | H24 | 119.6° | 120.1° |
| C24 | C29 | C34 | 120.0° | 120.0° |
| C24 | C29 | H29 | 119.9° | 120.0° |
| C30 | C25 | O31 | 109.9° | 109.5° |
| C30 | C25 | H25 | 108.2° | 109.5° |
| C25 | C30 | C35 | 108.8° | 109.4° |
| C25 | C30 | H301 | 112.4° | 109.5° |
| C25 | C30 | H302 | 112.4° | 109.5° |
| O31 | C25 | H25 | 109.8° | 109.5° |
| C25 | O31 | H31 | 109.2° | 106.8° |
| C32 | C27 | C33 | 110.0° | 110.1° |
| C27 | C32 | N36 | 105.3° | 107.2° |
| C27 | C32 | H321 | 113.8° | 109.9° |
| C27 | C32 | H322 | 113.8° | 109.9° |
| C27 | C33 | C37 | 110.7° | 110.1° |
| C27 | C33 | H33 | 118.9° | 124.9° |
| C34 | C28 | H28 | 119.9° | 120.0° |
| C28 | C34 | C29 | 120.1° | 120.0° |
| C28 | C34 | H34 | 119.9° | 120.0° |
| C34 | C29 | H29 | 120.1° | 120.0° |
| C29 | C34 | H34 | 120.0° | 120.0° |
| C35 | C30 | H301 | 112.4° | 109.5° |
| C35 | C30 | H302 | 112.5° | 109.5° |
| C30 | C35 | C38 | 120.5° | 120.0° |
| C30 | C35 | C39 | 119.7° | 120.0° |
| H301 | C30 | H302 | 98.0° | 109.4° |
| N36 | C32 | H321 | 113.8° | 110.2° |
| N36 | C32 | H322 | 113.8° | 109.6° |
| C32 | N36 | C37 | 105.9° | 105.5° |
| C32 | N36 | C40 | 127.1° | 127.2° |
| H321 | C32 | H322 | 96.7° | 110.1° |
| C37 | C33 | H33 | 130.4° | 125.0° |
| C33 | C37 | N36 | 104.8° | 107.1° |
| C33 | C37 | H371 | 114.0° | 109.9° |
| C33 | C37 | H372 | 114.0° | 109.9° |
| C38 | C35 | C39 | 119.8° | 120.0° |
| C35 | C38 | C41 | 120.0° | 120.0° |
| C35 | C38 | H38 | 120.1° | 120.0° |
| C35 | C39 | C42 | 120.2° | 120.0° |
| C35 | C39 | H39 | 119.8° | 120.1° |
| C37 | N36 | C40 | 127.0° | 127.2° |
| N36 | C37 | H371 | 114.0° | 110.0° |
| N36 | C37 | H372 | 114.0° | 109.9° |
| N36 | C40 | N43 | 120.0° | 120.0° |
| N36 | C40 | N44 | 120.2° | 120.0° |
| H371 | C37 | H372 | 96.5° | 110.0° |
| C41 | C38 | H38 | 119.9° | 120.0° |
| C38 | C41 | C45 | 119.8° | 120.0° |
| C38 | C41 | H41 | 120.1° | 120.0° |
| C42 | C39 | H39 | 119.9° | 119.9° |
| C39 | C42 | C45 | 120.0° | 120.0° |
| C39 | C42 | H42 | 120.1° | 120.0° |
| N43 | C40 | N44 | 119.8° | 120.0° |
| C40 | N43 | H43 | 106.8° | 120.0° |
| C40 | N44 | H441 | 108.4° | 120.0° |
| C40 | N44 | H442 | 120.2° | 120.0° |
| C45 | C41 | H41 | 120.1° | 120.0° |
| C41 | C45 | C42 | 120.1° | 120.0° |
| C41 | C45 | H45 | 120.1° | 120.0° |
| C45 | C42 | H42 | 119.9° | 120.0° |
| C42 | C45 | H45 | 119.8° | 120.0° |
| H441 | N44 | H442 | 108.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C4 | 179.6° | 179.2° |
| N1 | C2 | C5 | C6 | 120.2° | 123.2° |
| N1 | C2 | C5 | H2 | 123.2° | 115.8° |
| N1 | C2 | C6 | H2 | 123.4° | 119.1° |
| C2 | N1 | C3 | C7 | 1.6° | 1.4° |
| C2 | N1 | C3 | C8 | 117.7° | 120.8° |
| C2 | N1 | C3 | H3 | 123.5° | 118.2° |
| C2 | N1 | C4 | C9 | 0.3° | 7.2° |
| C2 | N1 | C4 | O10 | 180.0° | 172.9° |
| N1 | C2 | C5 | C7 | 44.2° | 38.9° |
| N1 | C2 | C5 | C11 | 160.3° | 73.7° |
| N1 | C2 | C5 | H5 | 81.1° | 159.1° |
| N1 | C2 | C6 | C12 | 165.6° | 67.0° |
| N1 | C2 | C6 | H61 | 40.4° | 53.8° |
| N1 | C2 | C6 | H62 | 69.1° | 172.5° |
| C3 | N1 | C2 | C5 | 28.8° | 25.7° |
| C3 | N1 | C2 | C6 | 93.4° | 149.1° |
| C3 | N1 | C2 | H2 | 150.1° | 91.3° |
| N1 | C3 | C7 | C8 | 120.6° | 119.5° |
| N1 | C3 | C7 | H3 | 120.6° | 119.5° |
| N1 | C3 | C8 | H3 | 120.7° | 121.1° |
| C3 | N1 | C4 | C9 | 179.2° | 173.7° |
| C3 | N1 | C4 | O10 | 0.6° | 6.2° |
| N1 | C3 | C7 | C5 | 26.1° | 22.8° |
| N1 | C3 | C7 | H71 | 151.4° | 141.1° |
| N1 | C3 | C7 | H72 | 99.1° | 95.4° |
| N1 | C3 | C8 | N13 | 149.2° | 173.4° |
| N1 | C3 | C8 | O14 | 31.2° | 6.6° |
| C4 | N1 | C2 | C5 | 150.7° | 153.5° |
| C4 | N1 | C2 | C6 | 87.0° | 30.2° |
| C4 | N1 | C2 | H2 | 29.5° | 89.4° |
| C4 | N1 | C3 | C7 | 178.0° | 177.8° |
| C4 | N1 | C3 | C8 | 62.8° | 58.4° |
| C4 | N1 | C3 | H3 | 56.0° | 62.6° |
| N1 | C4 | C9 | O10 | 179.7° | 179.9° |
| N1 | C4 | C9 | C15 | 115.1° | 55.6° |
| N1 | C4 | C9 | N16 | 122.8° | 175.6° |
| N1 | C4 | C9 | H9 | 3.0° | 64.4° |
| C5 | C2 | C6 | H2 | 121.4° | 121.5° |
| C2 | C5 | C7 | C3 | 42.8° | 36.7° |
| C2 | C5 | C7 | C11 | 119.9° | 116.0° |
| C2 | C5 | C7 | H5 | 122.0° | 120.1° |
| C2 | C5 | C11 | H5 | 123.0° | 127.3° |
| C5 | C2 | C6 | C12 | 50.4° | 52.3° |
| C5 | C2 | C6 | H61 | 74.9° | 173.2° |
| C5 | C2 | C6 | H62 | 175.7° | 68.1° |
| C2 | C5 | C7 | H71 | 168.0° | 155.0° |
| C2 | C5 | C7 | H72 | 82.5° | 81.6° |
| C2 | C5 | C11 | C17 | 41.5° | 54.6° |
| C2 | C5 | C11 | H111 | 83.8° | 65.8° |
| C2 | C5 | C11 | H112 | 166.8° | 174.8° |
| C6 | C2 | C5 | C7 | 76.0° | 162.1° |
| C6 | C2 | C5 | C11 | 40.1° | 49.5° |
| C6 | C2 | C5 | H5 | 158.7° | 77.7° |
| C2 | C6 | C12 | H61 | 125.3° | 120.9° |
| C2 | C6 | C12 | H62 | 125.3° | 120.1° |
| C2 | C6 | H61 | H62 | 116.9° | 118.4° |
| C2 | C6 | C12 | C17 | 59.2° | 58.8° |
| C2 | C6 | C12 | O18 | 61.7° | 178.6° |
| C2 | C6 | C12 | H12 | 179.3° | 60.9° |
| H2 | C2 | C5 | C7 | 167.4° | 76.9° |
| H2 | C2 | C5 | C11 | 76.4° | 170.5° |
| H2 | C2 | C5 | H5 | 42.1° | 43.3° |
| H2 | C2 | C6 | C12 | 71.0° | 173.9° |
| H2 | C2 | C6 | H61 | 163.7° | 65.3° |
| H2 | C2 | C6 | H62 | 54.2° | 53.4° |
| C7 | C3 | C8 | H3 | 121.9° | 121.1° |
| C3 | C7 | C5 | H71 | 125.3° | 118.3° |
| C3 | C7 | C5 | H72 | 125.3° | 118.3° |
| C3 | C7 | C5 | C11 | 162.6° | 79.4° |
| C3 | C7 | C5 | H5 | 79.2° | 156.8° |
| C3 | C7 | H71 | H72 | 121.0° | 123.4° |
| C7 | C3 | C8 | N13 | 93.5° | 68.7° |
| C7 | C3 | C8 | O14 | 86.1° | 111.3° |
| C8 | C3 | C7 | C5 | 146.7° | 96.7° |
| C8 | C3 | C7 | H71 | 88.0° | 21.6° |
| C8 | C3 | C7 | H72 | 21.5° | 145.1° |
| C3 | C8 | N13 | O14 | 179.6° | 180.0° |
| C3 | C8 | N13 | C19 | 179.4° | 180.0° |
| C3 | C8 | N13 | H13 | 0.6° | 0.0° |
| H3 | C3 | C7 | C5 | 94.5° | 142.3° |
| H3 | C3 | C7 | H71 | 30.8° | 99.4° |
| H3 | C3 | C7 | H72 | 140.2° | 24.1° |
| H3 | C3 | C8 | N13 | 28.5° | 52.4° |
| H3 | C3 | C8 | O14 | 151.9° | 127.6° |
| C4 | C9 | C15 | N16 | 120.7° | 120.0° |
| C4 | C9 | C15 | H9 | 119.6° | 120.0° |
| C4 | C9 | N16 | H9 | 119.6° | 120.0° |
| C4 | C9 | C15 | C20 | 70.9° | 176.0° |
| C4 | C9 | C15 | H151 | 163.8° | 56.0° |
| C4 | C9 | C15 | H152 | 54.4° | 64.1° |
| C4 | C9 | N16 | C21 | 118.5° | 155.0° |
| C4 | C9 | N16 | H16 | 61.5° | 25.0° |
| O10 | C4 | C9 | C15 | 64.7° | 124.3° |
| O10 | C4 | C9 | N16 | 57.4° | 4.2° |
| O10 | C4 | C9 | H9 | 177.3° | 115.7° |
| C7 | C5 | C11 | H5 | 126.0° | 124.0° |
| C5 | C7 | H71 | H72 | 121.0° | 123.3° |
| C7 | C5 | C11 | C17 | 69.5° | 163.2° |
| C7 | C5 | C11 | H111 | 165.2° | 42.9° |
| C7 | C5 | C11 | H112 | 55.7° | 76.6° |
| C11 | C5 | C7 | H71 | 72.1° | 39.0° |
| C11 | C5 | C7 | H72 | 37.4° | 162.4° |
| C5 | C11 | C17 | H111 | 125.3° | 120.3° |
| C5 | C11 | C17 | H112 | 125.3° | 120.2° |
| C5 | C11 | H111 | H112 | 115.9° | 119.4° |
| C5 | C11 | C17 | C12 | 51.6° | 62.0° |
| C5 | C11 | C17 | H171 | 176.8° | 178.2° |
| C5 | C11 | C17 | H172 | 73.7° | 57.7° |
| H5 | C5 | C7 | H71 | 46.1° | 84.9° |
| H5 | C5 | C7 | H72 | 155.5° | 38.5° |
| H5 | C5 | C11 | C17 | 164.5° | 72.8° |
| H5 | C5 | C11 | H111 | 39.3° | 166.9° |
| H5 | C5 | C11 | H112 | 70.2° | 47.5° |
| C12 | C6 | H61 | H62 | 116.9° | 119.1° |
| C6 | C12 | C17 | C11 | 59.0° | 63.2° |
| C6 | C12 | C17 | O18 | 121.1° | 119.8° |
| C6 | C12 | C17 | H12 | 119.9° | 119.6° |
| C6 | C12 | O18 | H12 | 120.0° | 120.5° |
| C6 | C12 | C17 | H171 | 175.7° | 177.1° |
| C6 | C12 | C17 | H172 | 66.2° | 56.6° |
| C6 | C12 | O18 | H18 | 180.0° | 179.0° |
| H61 | C6 | C12 | C17 | 66.1° | 179.6° |
| H61 | C6 | C12 | O18 | 173.0° | 60.6° |
| H61 | C6 | C12 | H12 | 54.0° | 60.0° |
| H62 | C6 | C12 | C17 | 175.6° | 61.3° |
| H62 | C6 | C12 | O18 | 63.5° | 58.4° |
| H62 | C6 | C12 | H12 | 55.4° | 179.0° |
| C8 | N13 | C19 | H13 | 180.0° | 180.0° |
| C8 | N13 | C19 | C22 | 130.0° | 180.0° |
| C8 | N13 | C19 | H191 | 4.7° | 60.0° |
| C8 | N13 | C19 | H192 | 104.8° | 60.0° |
| O14 | C8 | N13 | C19 | 0.2° | 0.0° |
| O14 | C8 | N13 | H13 | 179.8° | 180.0° |
| C15 | C9 | N16 | H9 | 118.0° | 120.0° |
| C9 | C15 | C20 | H151 | 125.3° | 120.0° |
| C9 | C15 | C20 | H152 | 125.2° | 120.0° |
| C9 | C15 | H151 | H152 | 117.9° | 120.1° |
| C15 | C9 | N16 | C21 | 119.2° | 85.0° |
| C15 | C9 | N16 | H16 | 60.8° | 95.0° |
| C9 | C15 | C20 | C23 | 114.8° | 90.0° |
| C9 | C15 | C20 | C24 | 65.0° | 90.3° |
| N16 | C9 | C15 | C20 | 168.5° | 64.0° |
| N16 | C9 | C15 | H151 | 43.2° | 176.0° |
| N16 | C9 | C15 | H152 | 66.3° | 55.9° |
| C9 | N16 | C21 | H16 | 180.0° | 180.0° |
| C9 | N16 | C21 | C25 | 179.1° | 180.0° |
| C9 | N16 | C21 | O26 | 0.4° | 0.0° |
| H9 | C9 | C15 | C20 | 48.7° | 56.0° |
| H9 | C9 | C15 | H151 | 76.6° | 64.0° |
| H9 | C9 | C15 | H152 | 173.9° | 175.9° |
| H9 | C9 | N16 | C21 | 1.1° | 35.0° |
| H9 | C9 | N16 | H16 | 178.9° | 145.0° |
| C17 | C11 | H111 | H112 | 115.9° | 119.4° |
| C11 | C17 | C12 | H171 | 125.3° | 119.8° |
| C11 | C17 | C12 | H172 | 125.2° | 119.8° |
| C11 | C17 | C12 | O18 | 62.1° | 177.0° |
| C11 | C17 | C12 | H12 | 179.0° | 56.5° |
| C11 | C17 | H171 | H172 | 117.5° | 120.4° |
| H111 | C11 | C17 | C12 | 73.7° | 58.3° |
| H111 | C11 | C17 | H171 | 51.6° | 61.4° |
| H111 | C11 | C17 | H172 | 161.0° | 178.1° |
| H112 | C11 | C17 | C12 | 176.8° | 177.7° |
| H112 | C11 | C17 | H171 | 57.9° | 58.0° |
| H112 | C11 | C17 | H172 | 51.6° | 62.5° |
| C17 | C12 | O18 | H12 | 120.1° | 120.5° |
| C12 | C17 | H171 | H172 | 117.6° | 120.4° |
| C17 | C12 | O18 | H18 | 60.1° | 60.0° |
| O18 | C12 | C17 | H171 | 63.2° | 57.3° |
| O18 | C12 | C17 | H172 | 172.7° | 63.2° |
| H12 | C12 | C17 | H171 | 55.8° | 63.3° |
| H12 | C12 | C17 | H172 | 53.7° | 176.3° |
| H12 | C12 | O18 | H18 | 60.1° | 60.5° |
| N13 | C19 | C22 | H191 | 125.2° | 120.1° |
| N13 | C19 | C22 | H192 | 125.2° | 120.0° |
| N13 | C19 | H191 | H192 | 117.9° | 120.1° |
| N13 | C19 | C22 | C27 | 82.5° | 180.0° |
| N13 | C19 | C22 | H221 | 152.2° | 60.0° |
| N13 | C19 | C22 | H222 | 42.8° | 60.1° |
| H13 | N13 | C19 | C22 | 50.0° | 0.0° |
| H13 | N13 | C19 | H191 | 175.3° | 120.0° |
| H13 | N13 | C19 | H192 | 75.2° | 120.0° |
| C20 | C15 | H151 | H152 | 117.9° | 120.0° |
| C15 | C20 | C23 | C24 | 179.8° | 179.7° |
| C15 | C20 | C23 | C28 | 179.7° | 180.0° |
| C15 | C20 | C23 | H23 | 0.3° | 0.0° |
| C15 | C20 | C24 | C29 | 179.7° | 179.8° |
| C15 | C20 | C24 | H24 | 0.3° | 0.2° |
| H151 | C15 | C20 | C23 | 120.0° | 30.0° |
| H151 | C15 | C20 | C24 | 60.3° | 149.8° |
| H152 | C15 | C20 | C23 | 10.5° | 150.0° |
| H152 | C15 | C20 | C24 | 169.8° | 29.7° |
| N16 | C21 | C25 | O26 | 179.5° | 180.0° |
| N16 | C21 | C25 | C30 | 98.5° | 65.0° |
| N16 | C21 | C25 | O31 | 22.7° | 175.0° |
| N16 | C21 | C25 | H25 | 142.6° | 55.0° |
| H16 | N16 | C21 | C25 | 0.9° | 0.0° |
| H16 | N16 | C21 | O26 | 179.6° | 180.0° |
| C22 | C19 | H191 | H192 | 117.9° | 119.9° |
| C19 | C22 | C27 | H221 | 125.3° | 120.0° |
| C19 | C22 | C27 | H222 | 125.2° | 119.9° |
| C19 | C22 | H221 | H222 | 117.2° | 120.0° |
| C19 | C22 | C27 | C32 | 158.0° | 84.8° |
| C19 | C22 | C27 | C33 | 22.4° | 94.9° |
| H191 | C19 | C22 | C27 | 42.7° | 59.9° |
| H191 | C19 | C22 | H221 | 82.5° | 180.0° |
| H191 | C19 | C22 | H222 | 168.0° | 60.0° |
| H192 | C19 | C22 | C27 | 152.3° | 60.0° |
| H192 | C19 | C22 | H221 | 27.0° | 60.0° |
| H192 | C19 | C22 | H222 | 82.5° | 179.9° |
| C20 | C23 | C28 | H23 | 180.0° | 180.0° |
| C23 | C20 | C24 | C29 | 0.0° | 0.5° |
| C23 | C20 | C24 | H24 | 180.0° | 179.9° |
| C20 | C23 | C28 | C34 | 0.1° | 0.0° |
| C20 | C23 | C28 | H28 | 180.0° | 179.9° |
| C24 | C20 | C23 | C28 | 0.0° | 0.3° |
| C24 | C20 | C23 | H23 | 180.0° | 179.8° |
| C20 | C24 | C29 | H24 | 180.0° | 179.6° |
| C20 | C24 | C29 | C34 | 0.0° | 0.4° |
| C20 | C24 | C29 | H29 | 180.0° | 179.7° |
| C21 | C25 | C30 | O31 | 120.8° | 119.9° |
| C21 | C25 | C30 | H25 | 119.3° | 120.0° |
| C21 | C25 | O31 | H25 | 119.4° | 119.9° |
| C21 | C25 | C30 | C35 | 165.0° | 175.0° |
| C21 | C25 | C30 | H301 | 69.7° | 55.0° |
| C21 | C25 | C30 | H302 | 39.8° | 65.0° |
| C21 | C25 | O31 | H31 | 180.0° | 60.1° |
| O26 | C21 | C25 | C30 | 82.0° | 115.0° |
| O26 | C21 | C25 | O31 | 156.8° | 5.0° |
| O26 | C21 | C25 | H25 | 36.9° | 125.0° |
| C27 | C22 | H221 | H222 | 117.2° | 120.0° |
| C22 | C27 | C32 | C33 | 179.6° | 179.7° |
| C22 | C27 | C32 | N36 | 168.7° | 179.9° |
| C22 | C27 | C32 | H321 | 43.5° | 60.4° |
| C22 | C27 | C32 | H322 | 66.0° | 60.8° |
| C22 | C27 | C33 | C37 | 179.9° | 180.0° |
| C22 | C27 | C33 | H33 | 0.1° | 0.1° |
| H221 | C22 | C27 | C32 | 76.7° | 35.3° |
| H221 | C22 | C27 | C33 | 102.9° | 145.0° |
| H222 | C22 | C27 | C32 | 32.8° | 155.3° |
| H222 | C22 | C27 | C33 | 147.7° | 25.0° |
| C23 | C28 | C34 | H28 | 180.0° | 180.0° |
| C23 | C28 | C34 | C29 | 0.1° | 0.0° |
| C23 | C28 | C34 | H34 | 179.9° | 180.0° |
| H23 | C23 | C28 | C34 | 180.0° | 180.0° |
| H23 | C23 | C28 | H28 | 0.0° | 0.0° |
| C24 | C29 | C34 | C28 | 0.1° | 0.1° |
| C24 | C29 | C34 | H29 | 180.0° | 179.9° |
| C24 | C29 | C34 | H34 | 179.9° | 179.9° |
| H24 | C24 | C29 | C34 | 180.0° | 180.0° |
| H24 | C24 | C29 | H29 | 0.0° | 0.1° |
| C30 | C25 | O31 | H25 | 118.9° | 120.1° |
| C25 | C30 | C35 | H301 | 125.3° | 120.0° |
| C25 | C30 | C35 | H302 | 125.3° | 120.0° |
| C25 | C30 | H301 | H302 | 118.3° | 120.0° |
| C30 | C25 | O31 | H31 | 58.3° | 59.9° |
| C25 | C30 | C35 | C38 | 87.1° | 90.3° |
| C25 | C30 | C35 | C39 | 92.7° | 90.0° |
| O31 | C25 | C30 | C35 | 74.2° | 65.0° |
| O31 | C25 | C30 | H301 | 51.1° | 175.0° |
| O31 | C25 | C30 | H302 | 160.5° | 55.0° |
| H25 | C25 | C30 | C35 | 45.7° | 55.0° |
| H25 | C25 | C30 | H301 | 171.0° | 65.0° |
| H25 | C25 | C30 | H302 | 79.6° | 175.1° |
| H25 | C25 | O31 | H31 | 60.7° | 180.0° |
| C27 | C32 | N36 | H321 | 125.3° | 119.5° |
| C27 | C32 | N36 | H322 | 125.3° | 119.2° |
| C27 | C32 | H321 | H322 | 119.7° | 121.1° |
| C32 | C27 | C33 | C37 | 0.3° | 0.3° |
| C32 | C27 | C33 | H33 | 179.7° | 179.8° |
| C27 | C32 | N36 | C37 | 17.4° | 0.3° |
| C27 | C32 | N36 | C40 | 163.2° | 179.9° |
| C33 | C27 | C32 | N36 | 10.9° | 0.4° |
| C33 | C27 | C32 | H321 | 136.2° | 119.4° |
| C33 | C27 | C32 | H322 | 114.4° | 119.4° |
| C27 | C33 | C37 | H33 | 180.0° | 179.9° |
| C27 | C33 | C37 | N36 | 11.3° | 0.1° |
| C27 | C33 | C37 | H371 | 114.0° | 119.4° |
| C27 | C33 | C37 | H372 | 136.6° | 119.4° |
| C28 | C34 | C29 | H34 | 180.0° | 180.0° |
| C28 | C34 | C29 | H29 | 179.9° | 180.0° |
| H28 | C28 | C34 | C29 | 179.9° | 180.0° |
| H28 | C28 | C34 | H34 | 0.0° | 0.0° |
| H29 | C29 | C34 | H34 | 0.0° | 0.0° |
| C35 | C30 | H301 | H302 | 118.4° | 120.0° |
| C30 | C35 | C38 | C39 | 179.8° | 179.7° |
| C30 | C35 | C38 | C41 | 179.8° | 179.8° |
| C30 | C35 | C38 | H38 | 0.2° | 0.2° |
| C30 | C35 | C39 | C42 | 179.8° | 180.0° |
| C30 | C35 | C39 | H39 | 0.2° | 0.0° |
| H301 | C30 | C35 | C38 | 147.6° | 149.7° |
| H301 | C30 | C35 | C39 | 32.6° | 30.0° |
| H302 | C30 | C35 | C38 | 38.1° | 29.7° |
| H302 | C30 | C35 | C39 | 142.1° | 150.0° |
| N36 | C32 | H321 | H322 | 119.7° | 121.1° |
| C32 | N36 | C37 | C33 | 17.4° | 0.2° |
| C32 | N36 | C37 | C40 | 179.5° | 179.8° |
| C32 | N36 | C37 | H371 | 107.9° | 119.6° |
| C32 | N36 | C37 | H372 | 142.7° | 119.2° |
| C32 | N36 | C40 | N43 | 175.9° | 0.3° |
| C32 | N36 | C40 | N44 | 4.2° | 179.7° |
| H321 | C32 | N36 | C37 | 142.6° | 119.2° |
| H321 | C32 | N36 | C40 | 37.9° | 60.6° |
| H322 | C32 | N36 | C37 | 107.9° | 119.5° |
| H322 | C32 | N36 | C40 | 71.5° | 60.7° |
| C33 | C37 | N36 | H371 | 125.3° | 119.5° |
| C33 | C37 | N36 | H372 | 125.3° | 119.3° |
| C33 | C37 | N36 | C40 | 163.1° | 180.0° |
| C33 | C37 | H371 | H372 | 119.9° | 121.1° |
| H33 | C33 | C37 | N36 | 168.7° | 180.0° |
| H33 | C33 | C37 | H371 | 66.0° | 60.5° |
| H33 | C33 | C37 | H372 | 43.4° | 60.7° |
| C35 | C38 | C41 | H38 | 180.0° | 179.6° |
| C38 | C35 | C39 | C42 | 0.0° | 0.3° |
| C38 | C35 | C39 | H39 | 180.0° | 179.8° |
| C35 | C38 | C41 | C45 | 0.1° | 0.4° |
| C35 | C38 | C41 | H41 | 179.9° | 179.7° |
| C39 | C35 | C38 | C41 | 0.0° | 0.5° |
| C39 | C35 | C38 | H38 | 180.0° | 179.9° |
| C35 | C39 | C42 | H39 | 180.0° | 180.0° |
| C35 | C39 | C42 | C45 | 0.0° | 0.1° |
| C35 | C39 | C42 | H42 | 179.9° | 180.0° |
| N36 | C37 | H371 | H372 | 119.9° | 121.1° |
| C37 | N36 | C40 | N43 | 3.4° | 180.0° |
| C37 | N36 | C40 | N44 | 176.4° | 0.0° |
| C40 | N36 | C37 | H371 | 71.6° | 60.6° |
| C40 | N36 | C37 | H372 | 37.8° | 60.6° |
| N36 | C40 | N43 | N44 | 179.8° | 180.0° |
| N36 | C40 | N43 | H43 | 107.9° | 0.1° |
| N36 | C40 | N44 | H441 | 54.7° | 180.0° |
| N36 | C40 | N44 | H442 | 180.0° | 0.3° |
| C38 | C41 | C45 | H41 | 180.0° | 179.8° |
| C38 | C41 | C45 | C42 | 0.1° | 0.2° |
| C38 | C41 | C45 | H45 | 179.8° | 179.9° |
| H38 | C38 | C41 | C45 | 179.9° | 180.0° |
| H38 | C38 | C41 | H41 | 0.1° | 0.1° |
| C39 | C42 | C45 | C41 | 0.1° | 0.0° |
| C39 | C42 | C45 | H42 | 180.0° | 180.0° |
| C39 | C42 | C45 | H45 | 179.9° | 179.9° |
| H39 | C39 | C42 | C45 | 180.0° | 180.0° |
| H39 | C39 | C42 | H42 | 0.1° | 0.0° |
| N43 | C40 | N44 | H441 | 125.1° | 0.0° |
| N43 | C40 | N44 | H442 | 0.2° | 179.7° |
| N44 | C40 | N43 | H43 | 71.9° | 179.9° |
| C40 | N44 | H441 | H442 | 132.0° | 179.7° |
| C41 | C45 | C42 | H45 | 180.0° | 179.9° |
| C41 | C45 | C42 | H42 | 179.9° | 180.0° |
| H41 | C41 | C45 | C42 | 179.9° | 180.0° |
| H41 | C41 | C45 | H45 | 0.1° | 0.0° |
| H42 | C42 | C45 | H45 | 0.2° | 0.1° |
