ISG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C08 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | C05 | sing | 1.53Å | 1.57Å | |
| C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C04 | C09 | sing | 1.51Å | 1.60Å | |
| C27 | C25 | sing | 1.51Å | 1.58Å | |
| C27 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.58Å | |
| C02 | O22 | sing | 1.35Å | 1.39Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| O22 | C23 | sing | 1.45Å | 1.48Å | |
| C29 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.63Å | |
| C09 | N10 | sing | 1.35Å | 1.40Å | |
| C09 | O21 | doub | 1.21Å | 1.21Å | |
| N10 | C11 | sing | 1.47Å | 1.51Å | |
| O20 | C19 | doub | 1.21Å | 1.39Å | |
| C19 | C11 | sing | 1.51Å | 1.59Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.60Å | |
| C13 | C14 | sing | 1.51Å | 1.59Å | |
| C13 | C17 | sing | 1.55Å | 1.50Å | |
| O18 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | N15 | sing | 1.34Å | 1.42Å | |
| C17 | C16 | sing | 1.54Å | 1.60Å | |
| C16 | N15 | sing | 1.47Å | 1.46Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| N03 | H32 | sing | 0.97Å | 1.00Å | |
| N10 | H33 | sing | 0.97Å | 1.00Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C08 | 110.7° | 109.5° |
| C07 | C06 | C05 | 110.9° | 109.5° |
| C07 | C06 | H9 | 108.1° | 109.5° |
| C06 | C07 | H10 | 109.5° | 109.5° |
| C06 | C07 | H11 | 109.5° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C08 | C06 | C05 | 110.9° | 109.4° |
| C08 | C06 | H9 | 108.1° | 109.5° |
| C06 | C08 | H13 | 109.5° | 109.5° |
| C06 | C08 | H14 | 109.5° | 109.5° |
| C06 | C08 | H15 | 109.5° | 109.5° |
| C06 | C05 | C04 | 114.1° | 109.5° |
| C06 | C05 | H7 | 108.3° | 109.5° |
| C06 | C05 | H8 | 108.3° | 109.5° |
| C05 | C06 | H9 | 108.0° | 109.5° |
| C32 | C31 | C30 | 119.6° | 120.0° |
| C31 | C32 | C27 | 122.2° | 120.0° |
| C32 | C31 | H30 | 120.2° | 120.0° |
| C31 | C32 | H31 | 118.9° | 120.0° |
| C31 | C30 | C29 | 120.3° | 120.0° |
| C31 | C30 | H29 | 119.9° | 120.0° |
| C30 | C31 | H30 | 120.2° | 120.0° |
| C32 | C27 | C25 | 124.8° | 120.0° |
| C32 | C27 | C28 | 116.8° | 119.9° |
| C27 | C32 | H31 | 118.9° | 120.0° |
| C05 | C04 | N03 | 112.5° | 109.5° |
| C05 | C04 | C09 | 108.2° | 109.5° |
| C05 | C04 | H6 | 107.9° | 109.5° |
| C04 | C05 | H7 | 108.3° | 109.4° |
| C04 | C05 | H8 | 108.3° | 109.4° |
| C25 | C26 | C24 | 62.9° | 60.0° |
| C26 | C25 | C27 | 117.9° | 117.5° |
| C26 | C25 | C24 | 58.6° | 60.0° |
| C26 | C25 | H24 | 109.8° | 117.5° |
| C25 | C26 | H25 | 119.5° | 117.5° |
| C25 | C26 | H26 | 119.5° | 117.5° |
| C26 | C24 | C25 | 58.5° | 60.1° |
| C26 | C24 | C23 | 116.0° | 117.5° |
| C26 | C24 | H23 | 117.9° | 117.5° |
| C24 | C26 | H25 | 119.5° | 117.5° |
| C24 | C26 | H26 | 119.5° | 117.5° |
| C30 | C29 | C28 | 119.4° | 120.0° |
| C30 | C29 | H28 | 120.3° | 120.0° |
| C29 | C30 | H29 | 119.9° | 120.0° |
| C04 | N03 | C02 | 116.9° | 120.0° |
| N03 | C04 | C09 | 111.5° | 109.5° |
| N03 | C04 | H6 | 109.2° | 109.5° |
| C04 | N03 | H32 | 121.6° | 120.0° |
| N03 | C02 | O22 | 123.1° | 120.0° |
| N03 | C02 | O01 | 118.3° | 120.0° |
| C02 | N03 | H32 | 121.5° | 120.0° |
| C04 | C09 | N10 | 121.6° | 120.0° |
| C04 | C09 | O21 | 117.0° | 120.0° |
| C09 | C04 | H6 | 107.5° | 109.4° |
| C25 | C27 | C28 | 118.4° | 120.0° |
| C27 | C25 | C24 | 140.0° | 117.5° |
| C27 | C25 | H24 | 109.0° | 115.6° |
| C27 | C28 | C29 | 121.7° | 120.1° |
| C27 | C28 | H27 | 119.1° | 120.0° |
| C25 | C24 | C23 | 119.6° | 117.5° |
| C25 | C24 | H23 | 116.7° | 117.5° |
| C24 | C25 | H24 | 108.9° | 117.5° |
| O22 | C02 | O01 | 118.7° | 120.1° |
| C02 | O22 | C23 | 121.6° | 116.9° |
| O22 | C23 | C24 | 112.0° | 109.4° |
| O22 | C23 | H21 | 108.8° | 109.4° |
| O22 | C23 | H22 | 108.8° | 109.5° |
| C29 | C28 | H27 | 119.1° | 120.0° |
| C28 | C29 | H28 | 120.3° | 120.0° |
| C24 | C23 | H21 | 108.8° | 109.5° |
| C24 | C23 | H22 | 108.8° | 109.5° |
| C23 | C24 | H23 | 116.0° | 115.5° |
| N10 | C09 | O21 | 121.4° | 120.0° |
| C09 | N10 | C11 | 123.9° | 120.0° |
| C09 | N10 | H33 | 118.0° | 120.1° |
| N10 | C11 | C19 | 109.3° | 109.5° |
| N10 | C11 | C12 | 111.4° | 109.5° |
| N10 | C11 | H1 | 109.1° | 109.5° |
| C11 | N10 | H33 | 118.0° | 119.9° |
| O20 | C19 | C11 | 110.3° | 120.0° |
| O20 | C19 | H19 | 124.9° | 120.1° |
| C19 | C11 | C12 | 110.0° | 109.5° |
| C19 | C11 | H1 | 108.1° | 109.5° |
| C11 | C19 | H19 | 124.9° | 120.0° |
| C11 | C12 | C13 | 111.4° | 109.5° |
| C12 | C11 | H1 | 108.8° | 109.5° |
| C11 | C12 | H2 | 109.0° | 109.5° |
| C11 | C12 | H3 | 109.0° | 109.5° |
| C12 | C13 | C14 | 116.6° | 110.5° |
| C12 | C13 | C17 | 107.3° | 110.5° |
| C13 | C12 | H2 | 109.0° | 109.5° |
| C13 | C12 | H3 | 109.0° | 109.5° |
| C12 | C13 | H16 | 111.1° | 110.4° |
| C14 | C13 | C17 | 97.1° | 104.2° |
| C13 | C14 | O18 | 119.6° | 124.9° |
| C13 | C14 | N15 | 114.3° | 110.2° |
| C14 | C13 | H16 | 111.2° | 110.5° |
| C13 | C17 | C16 | 106.3° | 101.7° |
| C17 | C13 | H16 | 112.6° | 110.6° |
| C13 | C17 | H17 | 110.3° | 110.9° |
| C13 | C17 | H18 | 110.3° | 111.0° |
| O18 | C14 | N15 | 126.0° | 124.9° |
| C14 | N15 | C16 | 106.0° | 111.3° |
| C14 | N15 | H34 | 127.0° | 124.4° |
| C17 | C16 | N15 | 104.6° | 105.5° |
| C17 | C16 | H4 | 110.7° | 110.2° |
| C17 | C16 | H5 | 110.7° | 110.3° |
| C16 | C17 | H17 | 110.3° | 111.0° |
| C16 | C17 | H18 | 110.3° | 111.0° |
| N15 | C16 | H4 | 110.7° | 110.3° |
| N15 | C16 | H5 | 110.7° | 110.3° |
| C16 | N15 | H34 | 127.0° | 124.3° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H4 | C16 | H5 | 109.5° | 110.2° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H10 | C07 | H11 | 109.4° | 109.5° |
| H10 | C07 | H12 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.4° | 109.4° |
| H13 | C08 | H14 | 109.5° | 109.4° |
| H13 | C08 | H15 | 109.4° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C08 | C05 | 123.6° | 119.9° |
| C07 | C06 | C08 | H9 | 118.3° | 120.1° |
| C07 | C06 | C05 | H9 | 118.3° | 120.1° |
| C07 | C06 | C05 | C04 | 154.4° | 66.2° |
| C07 | C06 | C05 | H7 | 33.8° | 53.8° |
| C07 | C06 | C05 | H8 | 84.8° | 173.9° |
| C06 | C07 | H10 | H11 | 120.0° | 120.0° |
| C06 | C07 | H10 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H12 | 120.0° | 119.9° |
| C07 | C06 | C08 | H13 | 180.0° | 180.0° |
| C07 | C06 | C08 | H14 | 60.0° | 60.1° |
| C07 | C06 | C08 | H15 | 60.0° | 59.9° |
| C08 | C06 | C05 | H9 | 118.2° | 120.0° |
| C08 | C06 | C05 | C04 | 30.9° | 173.8° |
| C08 | C06 | C05 | H7 | 89.7° | 66.2° |
| C08 | C06 | C05 | H8 | 151.6° | 53.9° |
| C08 | C06 | C07 | H10 | 180.0° | 56.4° |
| C08 | C06 | C07 | H11 | 60.0° | 63.7° |
| C08 | C06 | C07 | H12 | 60.0° | 176.4° |
| C06 | C08 | H13 | H14 | 120.0° | 120.0° |
| C06 | C08 | H13 | H15 | 120.0° | 120.1° |
| C06 | C08 | H14 | H15 | 120.0° | 120.0° |
| C06 | C05 | C04 | H7 | 120.7° | 120.0° |
| C06 | C05 | C04 | H8 | 120.7° | 120.0° |
| C06 | C05 | C04 | N03 | 59.5° | 178.4° |
| C06 | C05 | C04 | C09 | 176.9° | 61.6° |
| C06 | C05 | C04 | H6 | 60.9° | 58.4° |
| C06 | C05 | H7 | H8 | 117.9° | 120.1° |
| C05 | C06 | C07 | H10 | 56.4° | 63.5° |
| C05 | C06 | C07 | H11 | 63.6° | 176.4° |
| C05 | C06 | C07 | H12 | 176.4° | 56.5° |
| C05 | C06 | C08 | H13 | 56.4° | 60.1° |
| C05 | C06 | C08 | H14 | 176.4° | 180.0° |
| C05 | C06 | C08 | H15 | 63.6° | 60.0° |
| C32 | C31 | C30 | H30 | 180.0° | 179.5° |
| C31 | C32 | C27 | H31 | 180.0° | 179.4° |
| C32 | C31 | C30 | C29 | 0.1° | 0.3° |
| C31 | C32 | C27 | C25 | 178.7° | 179.7° |
| C31 | C32 | C27 | C28 | 1.0° | 0.6° |
| C32 | C31 | C30 | H29 | 179.9° | 179.8° |
| C30 | C31 | C32 | C27 | 0.6° | 0.6° |
| C31 | C30 | C29 | H29 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C31 | C30 | C29 | H28 | 179.5° | 180.0° |
| C30 | C31 | C32 | H31 | 179.4° | 180.0° |
| C32 | C27 | C25 | C26 | 51.4° | 8.4° |
| C32 | C27 | C25 | C28 | 177.7° | 179.8° |
| C32 | C27 | C25 | C24 | 124.8° | 60.2° |
| C32 | C27 | C28 | C29 | 0.7° | 0.3° |
| C32 | C27 | C25 | H24 | 74.5° | 154.1° |
| C32 | C27 | C28 | H27 | 179.3° | 179.8° |
| C27 | C32 | C31 | H30 | 179.4° | 180.0° |
| C05 | C04 | N03 | C09 | 121.7° | 120.0° |
| C05 | C04 | N03 | H6 | 119.7° | 120.0° |
| C05 | C04 | N03 | C02 | 178.1° | 88.0° |
| C05 | C04 | C09 | H6 | 116.2° | 120.0° |
| C05 | C04 | C09 | N10 | 87.0° | 82.5° |
| C05 | C04 | C09 | O21 | 92.2° | 97.5° |
| C04 | C05 | H7 | H8 | 117.9° | 119.9° |
| C04 | C05 | C06 | H9 | 87.3° | 53.8° |
| C05 | C04 | N03 | H32 | 1.9° | 92.0° |
| C25 | C26 | C24 | H25 | 110.2° | 107.5° |
| C25 | C26 | C24 | H26 | 110.3° | 107.4° |
| C26 | C25 | C27 | C24 | 73.4° | 68.6° |
| C26 | C25 | C27 | H24 | 125.9° | 145.7° |
| C26 | C25 | C27 | C28 | 130.9° | 171.4° |
| C26 | C25 | C24 | H24 | 102.1° | 107.5° |
| C25 | C26 | C24 | C23 | 110.2° | 107.5° |
| C25 | C26 | C24 | H23 | 105.8° | 107.5° |
| C25 | C26 | H25 | H26 | 143.2° | 145.7° |
| C26 | C24 | C23 | O22 | 12.5° | 116.2° |
| C26 | C24 | C23 | H23 | 144.7° | 145.7° |
| C26 | C24 | C23 | H21 | 132.9° | 3.7° |
| C26 | C24 | C23 | H22 | 107.8° | 123.8° |
| C24 | C26 | H25 | H26 | 143.2° | 145.8° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| C30 | C29 | C28 | H27 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 179.9° | 179.8° |
| C04 | N03 | C02 | H32 | 180.0° | 180.0° |
| N03 | C04 | C09 | H6 | 119.6° | 120.0° |
| C04 | N03 | C02 | O22 | 172.5° | 174.9° |
| C04 | N03 | C02 | O01 | 7.5° | 5.1° |
| N03 | C04 | C09 | N10 | 148.9° | 157.5° |
| N03 | C04 | C09 | O21 | 31.9° | 22.5° |
| N03 | C04 | C05 | H7 | 179.8° | 58.4° |
| N03 | C04 | C05 | H8 | 61.2° | 61.6° |
| C02 | N03 | C04 | C09 | 60.2° | 151.9° |
| N03 | C02 | O22 | O01 | 180.0° | 180.0° |
| N03 | C02 | O22 | C23 | 175.4° | 180.0° |
| C02 | N03 | C04 | H6 | 58.4° | 32.0° |
| C04 | C09 | N10 | O21 | 179.2° | 180.0° |
| C04 | C09 | N10 | C11 | 179.4° | 174.9° |
| C09 | C04 | C05 | H7 | 56.2° | 178.4° |
| C09 | C04 | C05 | H8 | 62.4° | 58.4° |
| C09 | C04 | N03 | H32 | 119.8° | 28.0° |
| C04 | C09 | N10 | H33 | 0.7° | 5.1° |
| C27 | C25 | C24 | H24 | 160.7° | 145.0° |
| C25 | C27 | C28 | C29 | 178.5° | 180.0° |
| C27 | C25 | C24 | C23 | 158.8° | 145.0° |
| C27 | C25 | C24 | H23 | 10.6° | 0.1° |
| C27 | C25 | C26 | H25 | 23.6° | 145.0° |
| C27 | C25 | C26 | H26 | 115.9° | 0.0° |
| C25 | C27 | C28 | H27 | 1.5° | 0.0° |
| C25 | C27 | C32 | H31 | 1.3° | 0.2° |
| C28 | C27 | C25 | C24 | 57.5° | 120.0° |
| C27 | C28 | C29 | H27 | 180.0° | 180.0° |
| C28 | C27 | C25 | H24 | 103.1° | 25.7° |
| C27 | C28 | C29 | H28 | 179.9° | 180.0° |
| C28 | C27 | C32 | H31 | 179.0° | 180.0° |
| C25 | C24 | C23 | O22 | 79.4° | 175.1° |
| C25 | C24 | C23 | H23 | 148.4° | 145.6° |
| C25 | C24 | C23 | H21 | 160.2° | 65.0° |
| C25 | C24 | C23 | H22 | 40.9° | 55.1° |
| C02 | O22 | C23 | C24 | 121.0° | 180.0° |
| C02 | O22 | C23 | H21 | 0.6° | 60.0° |
| C02 | O22 | C23 | H22 | 118.6° | 59.9° |
| O22 | C02 | N03 | H32 | 7.5° | 5.1° |
| O01 | C02 | O22 | C23 | 4.6° | 0.1° |
| O01 | C02 | N03 | H32 | 172.5° | 174.9° |
| O22 | C23 | C24 | H21 | 120.4° | 119.9° |
| O22 | C23 | C24 | H22 | 120.4° | 120.0° |
| O22 | C23 | H21 | H22 | 118.8° | 120.0° |
| O22 | C23 | C24 | H23 | 132.2° | 29.4° |
| C28 | C29 | C30 | H29 | 179.5° | 179.9° |
| C24 | C23 | H21 | H22 | 118.8° | 120.1° |
| C23 | C24 | C25 | H24 | 1.9° | 0.0° |
| C23 | C24 | C26 | H25 | 139.6° | 0.0° |
| C23 | C24 | C26 | H26 | 0.0° | 145.1° |
| C09 | N10 | C11 | H33 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 132.0° | 83.1° |
| C09 | N10 | C11 | C12 | 106.2° | 156.9° |
| C09 | N10 | C11 | H1 | 14.0° | 36.9° |
| N10 | C09 | C04 | H6 | 29.2° | 37.5° |
| O21 | C09 | N10 | C11 | 0.2° | 5.2° |
| O21 | C09 | C04 | H6 | 151.6° | 142.5° |
| O21 | C09 | N10 | H33 | 179.9° | 174.9° |
| N10 | C11 | C19 | O20 | 65.2° | 0.0° |
| N10 | C11 | C19 | C12 | 122.6° | 120.1° |
| N10 | C11 | C19 | H1 | 118.6° | 120.0° |
| N10 | C11 | C12 | H1 | 120.4° | 120.0° |
| N10 | C11 | C12 | C13 | 58.4° | 62.8° |
| N10 | C11 | C12 | H2 | 61.9° | 57.2° |
| N10 | C11 | C12 | H3 | 178.7° | 177.1° |
| N10 | C11 | C19 | H19 | 114.8° | 180.0° |
| O20 | C19 | C11 | H19 | 180.0° | 180.0° |
| O20 | C19 | C11 | C12 | 172.2° | 120.0° |
| O20 | C19 | C11 | H1 | 53.4° | 120.0° |
| C19 | C11 | C12 | H1 | 118.3° | 120.0° |
| C19 | C11 | C12 | C13 | 179.8° | 177.1° |
| C19 | C11 | C12 | H2 | 59.5° | 62.9° |
| C19 | C11 | C12 | H3 | 59.9° | 57.1° |
| C19 | C11 | N10 | H33 | 48.1° | 96.9° |
| C11 | C12 | C13 | H2 | 120.3° | 120.0° |
| C11 | C12 | C13 | H3 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 178.8° | 174.5° |
| C11 | C12 | C13 | C17 | 73.7° | 70.7° |
| C11 | C12 | H2 | H3 | 119.1° | 120.0° |
| C11 | C12 | C13 | H16 | 49.8° | 52.0° |
| C12 | C11 | C19 | H19 | 7.8° | 60.0° |
| C12 | C11 | N10 | H33 | 73.7° | 23.1° |
| C12 | C13 | C14 | C17 | 113.5° | 118.7° |
| C12 | C13 | C14 | H16 | 128.9° | 122.5° |
| C12 | C13 | C17 | H16 | 122.6° | 122.5° |
| C12 | C13 | C14 | O18 | 46.1° | 45.1° |
| C12 | C13 | C14 | N15 | 134.4° | 134.9° |
| C12 | C13 | C17 | C16 | 151.9° | 143.5° |
| C13 | C12 | C11 | H1 | 62.0° | 57.2° |
| C13 | C12 | H2 | H3 | 119.1° | 120.0° |
| C12 | C13 | C17 | H17 | 32.4° | 98.4° |
| C12 | C13 | C17 | H18 | 88.6° | 25.4° |
| C14 | C13 | C17 | H16 | 116.6° | 118.7° |
| C13 | C14 | O18 | N15 | 179.5° | 180.0° |
| C14 | C13 | C17 | C16 | 31.1° | 24.8° |
| C13 | C14 | N15 | C16 | 0.3° | 0.5° |
| C14 | C13 | C12 | H2 | 58.5° | 54.5° |
| C14 | C13 | C12 | H3 | 60.9° | 65.4° |
| C14 | C13 | C17 | H17 | 88.4° | 142.9° |
| C14 | C13 | C17 | H18 | 150.6° | 93.3° |
| C13 | C14 | N15 | H34 | 179.8° | 179.6° |
| C17 | C13 | C14 | O18 | 159.5° | 163.8° |
| C17 | C13 | C14 | N15 | 21.0° | 16.2° |
| C13 | C17 | C16 | H17 | 119.5° | 118.1° |
| C13 | C17 | C16 | H18 | 119.5° | 118.1° |
| C13 | C17 | C16 | N15 | 34.4° | 25.4° |
| C17 | C13 | C12 | H2 | 166.0° | 169.3° |
| C17 | C13 | C12 | H3 | 46.6° | 49.4° |
| C13 | C17 | C16 | H4 | 153.6° | 144.4° |
| C13 | C17 | C16 | H5 | 84.8° | 93.6° |
| C13 | C17 | H17 | H18 | 121.5° | 123.8° |
| O18 | C14 | N15 | C16 | 179.7° | 179.6° |
| O18 | C14 | C13 | H16 | 82.8° | 77.5° |
| O18 | C14 | N15 | H34 | 0.3° | 0.4° |
| C14 | N15 | C16 | C17 | 19.6° | 17.1° |
| C14 | N15 | C16 | H34 | 180.0° | 179.9° |
| C14 | N15 | C16 | H4 | 138.8° | 136.1° |
| C14 | N15 | C16 | H5 | 99.6° | 102.1° |
| N15 | C14 | C13 | H16 | 96.7° | 102.6° |
| C17 | C16 | N15 | H4 | 119.2° | 119.0° |
| C17 | C16 | N15 | H5 | 119.2° | 119.1° |
| C17 | C16 | H4 | H5 | 122.3° | 122.0° |
| C16 | C17 | C13 | H16 | 85.5° | 94.0° |
| C16 | C17 | H17 | H18 | 121.5° | 123.9° |
| C17 | C16 | N15 | H34 | 160.3° | 163.0° |
| N15 | C16 | H4 | H5 | 122.3° | 121.9° |
| N15 | C16 | C17 | H17 | 85.1° | 143.5° |
| N15 | C16 | C17 | H18 | 153.9° | 92.6° |
| H1 | C11 | C12 | H2 | 177.8° | 177.2° |
| H1 | C11 | C12 | H3 | 58.4° | 62.9° |
| H1 | C11 | C19 | H19 | 126.5° | 60.0° |
| H1 | C11 | N10 | H33 | 166.1° | 143.1° |
| H2 | C12 | C13 | H16 | 70.4° | 68.1° |
| H3 | C12 | C13 | H16 | 170.2° | 172.0° |
| H4 | C16 | C17 | H17 | 34.1° | 97.5° |
| H4 | C16 | C17 | H18 | 86.9° | 26.4° |
| H4 | C16 | N15 | H34 | 41.1° | 44.0° |
| H5 | C16 | C17 | H17 | 155.7° | 24.4° |
| H5 | C16 | C17 | H18 | 34.7° | 148.3° |
| H5 | C16 | N15 | H34 | 80.5° | 77.9° |
| H6 | C04 | C05 | H7 | 59.8° | 61.7° |
| H6 | C04 | C05 | H8 | 178.4° | 178.4° |
| H6 | C04 | N03 | H32 | 121.6° | 148.0° |
| H7 | C05 | C06 | H9 | 152.1° | 173.8° |
| H8 | C05 | C06 | H9 | 33.4° | 66.1° |
| H9 | C06 | C07 | H10 | 61.8° | 176.5° |
| H9 | C06 | C07 | H11 | 178.2° | 56.4° |
| H9 | C06 | C07 | H12 | 58.2° | 63.5° |
| H9 | C06 | C08 | H13 | 61.7° | 59.9° |
| H9 | C06 | C08 | H14 | 58.3° | 60.0° |
| H9 | C06 | C08 | H15 | 178.3° | 180.0° |
| H10 | C07 | H11 | H12 | 120.0° | 120.0° |
| H13 | C08 | H14 | H15 | 120.0° | 120.0° |
| H16 | C13 | C17 | H17 | 155.0° | 24.2° |
| H16 | C13 | C17 | H18 | 34.0° | 148.0° |
| H21 | C23 | C24 | H23 | 11.8° | 149.4° |
| H22 | C23 | C24 | H23 | 107.4° | 90.6° |
| H23 | C24 | C25 | H24 | 150.0° | 145.0° |
| H23 | C24 | C26 | H25 | 4.5° | 145.0° |
| H23 | C24 | C26 | H26 | 144.0° | 0.1° |
| H24 | C25 | C26 | H25 | 149.2° | 0.1° |
| H24 | C25 | C26 | H26 | 9.7° | 145.1° |
| H27 | C28 | C29 | H28 | 0.1° | 0.0° |
| H28 | C29 | C30 | H29 | 0.5° | 0.0° |
| H29 | C30 | C31 | H30 | 0.1° | 0.3° |
| H30 | C31 | C32 | H31 | 0.6° | 0.5° |
