A1JPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N31 | sing | 1.47Å | 1.44Å | |
| N31 | C22 | sing | 1.47Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C02 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.51Å | 1.57Å | |
| C29 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.17Å | |
| C02 | N03 | sing | 1.36Å | 1.49Å | |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.48Å | 1.45Å | |
| C06 | C05 | sing | 1.53Å | 1.57Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | O30 | sing | 1.36Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C09 | sing | 1.51Å | 1.55Å | |
| C26 | N15 | sing | 1.40Å | 1.46Å | |
| C09 | O21 | doub | 1.21Å | 1.20Å | |
| C09 | N10 | sing | 1.37Å | 1.49Å | |
| N15 | C14 | sing | 1.37Å | 1.40Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.48Å | 1.44Å | |
| C16 | N17 | doub | 1.31Å | 1.35Å | Aromatic |
| C13 | N17 | sing | 1.34Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C18 | sing | 1.51Å | 1.52Å | |
| O20 | C18 | doub | 1.21Å | 1.25Å | |
| C18 | O19 | sing | 1.34Å | 1.26Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| N03 | H25 | sing | 0.97Å | 1.00Å | |
| N10 | H26 | sing | 0.97Å | 1.00Å | |
| N31 | H27 | sing | 1.01Å | 1.00Å | |
| O19 | H29 | sing | 0.97Å | 0.95Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N31 | C22 | 111.1° | 111.1° |
| N31 | C32 | H22 | 109.5° | 109.5° |
| N31 | C32 | H23 | 109.4° | 109.5° |
| N31 | C32 | H24 | 109.5° | 109.4° |
| C32 | N31 | H27 | 109.1° | 111.0° |
| N31 | C22 | C23 | 111.0° | 109.4° |
| N31 | C22 | C02 | 112.2° | 109.5° |
| N31 | C22 | H1 | 105.8° | 109.4° |
| C22 | N31 | H27 | 109.1° | 111.0° |
| C23 | C22 | C02 | 117.3° | 109.6° |
| C22 | C23 | C24 | 116.5° | 109.3° |
| C23 | C22 | H1 | 104.6° | 109.4° |
| C22 | C23 | H18 | 107.7° | 109.5° |
| C22 | C23 | H19 | 107.7° | 109.5° |
| C22 | C02 | O01 | 120.6° | 120.5° |
| C22 | C02 | N03 | 120.1° | 119.1° |
| C02 | C22 | H1 | 104.7° | 109.5° |
| C23 | C24 | C29 | 121.0° | 120.0° |
| C23 | C24 | C25 | 119.9° | 119.8° |
| C24 | C23 | H18 | 107.7° | 109.5° |
| C24 | C23 | H19 | 107.7° | 109.5° |
| C24 | C29 | C28 | 121.4° | 120.1° |
| C29 | C24 | C25 | 119.1° | 120.2° |
| C24 | C29 | H21 | 119.3° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C29 | C28 | H2 | 120.1° | 120.0° |
| C28 | C29 | H21 | 119.3° | 119.9° |
| O01 | C02 | N03 | 119.3° | 120.5° |
| C02 | N03 | C04 | 120.2° | 115.9° |
| C02 | N03 | H25 | 119.9° | 122.0° |
| C24 | C25 | C26 | 120.4° | 119.9° |
| C24 | C25 | H20 | 119.8° | 120.0° |
| C28 | C27 | C26 | 119.0° | 119.8° |
| C28 | C27 | O30 | 120.4° | 120.1° |
| C27 | C28 | H2 | 120.1° | 119.9° |
| C08 | C06 | C05 | 108.3° | 109.5° |
| C08 | C06 | C07 | 108.5° | 109.4° |
| C08 | C06 | H6 | 110.4° | 109.4° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C06 | C08 | H11 | 109.5° | 109.4° |
| C06 | C08 | H12 | 109.5° | 109.4° |
| N03 | C04 | C05 | 114.3° | 109.5° |
| N03 | C04 | C09 | 109.6° | 109.3° |
| N03 | C04 | H3 | 108.4° | 109.5° |
| C04 | N03 | H25 | 119.9° | 122.1° |
| C05 | C06 | C07 | 109.7° | 109.5° |
| C06 | C05 | C04 | 112.1° | 109.5° |
| C06 | C05 | H4 | 108.8° | 109.5° |
| C06 | C05 | H5 | 108.8° | 109.5° |
| C05 | C06 | H6 | 109.8° | 109.5° |
| C07 | C06 | H6 | 110.2° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.4° |
| C06 | C07 | H8 | 109.5° | 109.4° |
| C06 | C07 | H9 | 109.5° | 109.4° |
| C25 | C26 | C27 | 120.3° | 119.9° |
| C25 | C26 | N15 | 115.6° | 119.1° |
| C26 | C25 | H20 | 119.8° | 120.0° |
| C26 | C27 | O30 | 120.6° | 120.1° |
| C27 | C26 | N15 | 124.1° | 121.0° |
| C27 | O30 | H30 | 109.5° | 114.0° |
| C05 | C04 | C09 | 109.7° | 109.5° |
| C05 | C04 | H3 | 107.5° | 109.5° |
| C04 | C05 | H4 | 108.8° | 109.4° |
| C04 | C05 | H5 | 108.8° | 109.5° |
| C04 | C09 | O21 | 120.5° | 120.8° |
| C04 | C09 | N10 | 119.3° | 118.4° |
| C09 | C04 | H3 | 107.2° | 109.5° |
| C26 | N15 | C14 | 123.1° | 125.2° |
| C26 | N15 | C16 | 129.2° | 127.7° |
| O21 | C09 | N10 | 120.2° | 120.8° |
| C09 | N10 | C11 | 121.1° | 114.4° |
| C09 | N10 | H26 | 119.4° | 122.8° |
| C14 | N15 | C16 | 107.6° | 107.1° |
| N15 | C14 | C13 | 107.8° | 106.8° |
| N15 | C14 | H16 | 126.1° | 126.6° |
| N15 | C16 | N17 | 108.5° | 108.6° |
| N15 | C16 | H17 | 125.7° | 125.7° |
| C14 | C13 | N17 | 107.5° | 108.2° |
| C14 | C13 | C12 | 125.0° | 125.4° |
| C13 | C14 | H16 | 126.1° | 126.6° |
| N10 | C11 | C12 | 109.1° | 108.5° |
| N10 | C11 | C18 | 108.4° | 109.7° |
| N10 | C11 | H13 | 110.8° | 109.9° |
| C11 | N10 | H26 | 119.4° | 122.8° |
| C16 | N17 | C13 | 108.6° | 109.3° |
| N17 | C16 | H17 | 125.7° | 125.7° |
| N17 | C13 | C12 | 127.5° | 126.4° |
| C13 | C12 | C11 | 107.3° | 109.1° |
| C13 | C12 | H14 | 110.0° | 109.6° |
| C13 | C12 | H15 | 110.0° | 109.5° |
| C12 | C11 | C18 | 109.5° | 109.6° |
| C12 | C11 | H13 | 109.3° | 109.6° |
| C11 | C12 | H14 | 110.0° | 109.5° |
| C11 | C12 | H15 | 110.0° | 109.5° |
| C11 | C18 | O20 | 119.8° | 120.0° |
| C11 | C18 | O19 | 119.8° | 120.1° |
| C18 | C11 | H13 | 109.8° | 109.6° |
| O20 | C18 | O19 | 120.4° | 120.0° |
| C18 | O19 | H29 | 109.5° | 117.0° |
| H4 | C05 | H5 | 109.4° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H9 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.5° | 109.5° |
| H10 | C08 | H12 | 109.4° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.6° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N31 | C22 | H27 | 120.3° | 124.0° |
| C32 | N31 | C22 | C23 | 32.7° | 80.0° |
| C32 | N31 | C22 | C02 | 100.8° | 159.8° |
| C32 | N31 | C22 | H1 | 145.6° | 39.9° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H24 | 120.0° | 120.0° |
| N31 | C32 | H23 | H24 | 120.0° | 119.9° |
| N31 | C22 | C23 | C02 | 130.9° | 120.1° |
| N31 | C22 | C23 | H1 | 113.7° | 119.9° |
| N31 | C22 | C02 | H1 | 114.3° | 119.9° |
| N31 | C22 | C23 | C24 | 105.9° | 50.4° |
| N31 | C22 | C02 | O01 | 48.8° | 120.1° |
| N31 | C22 | C02 | N03 | 130.4° | 59.9° |
| N31 | C22 | C23 | H18 | 133.1° | 170.3° |
| N31 | C22 | C23 | H19 | 15.1° | 69.6° |
| C22 | N31 | C32 | H22 | 180.0° | 175.0° |
| C22 | N31 | C32 | H23 | 60.0° | 55.0° |
| C22 | N31 | C32 | H24 | 60.0° | 65.0° |
| C23 | C22 | C02 | H1 | 115.4° | 120.0° |
| C22 | C23 | C24 | H18 | 121.0° | 119.9° |
| C22 | C23 | C24 | H19 | 121.0° | 120.0° |
| C22 | C23 | C24 | C29 | 114.4° | 143.0° |
| C23 | C22 | C02 | O01 | 81.6° | 0.0° |
| C23 | C22 | C02 | N03 | 99.2° | 180.0° |
| C22 | C23 | C24 | C25 | 67.2° | 36.9° |
| C22 | C23 | H18 | H19 | 116.8° | 120.1° |
| C23 | C22 | N31 | H27 | 153.0° | 44.0° |
| C02 | C22 | C23 | C24 | 25.1° | 69.7° |
| C22 | C02 | O01 | N03 | 179.2° | 180.0° |
| C22 | C02 | N03 | C04 | 179.6° | 178.2° |
| C02 | C22 | C23 | H18 | 95.9° | 50.2° |
| C02 | C22 | C23 | H19 | 146.1° | 170.3° |
| C22 | C02 | N03 | H25 | 0.4° | 1.8° |
| C02 | C22 | N31 | H27 | 19.4° | 76.2° |
| C23 | C24 | C29 | C25 | 178.5° | 180.0° |
| C23 | C24 | C29 | C28 | 179.5° | 179.9° |
| C23 | C24 | C25 | C26 | 179.6° | 180.0° |
| C24 | C23 | C22 | H1 | 140.5° | 170.2° |
| C24 | C23 | H18 | H19 | 116.8° | 120.1° |
| C23 | C24 | C25 | H20 | 0.4° | 0.0° |
| C23 | C24 | C29 | H21 | 0.5° | 0.0° |
| C24 | C29 | C28 | H21 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 0.4° | 0.1° |
| C29 | C24 | C25 | C26 | 1.1° | 0.0° |
| C24 | C29 | C28 | H2 | 179.6° | 179.9° |
| C29 | C24 | C23 | H18 | 124.6° | 97.0° |
| C29 | C24 | C23 | H19 | 6.6° | 23.1° |
| C29 | C24 | C25 | H20 | 178.9° | 180.0° |
| C28 | C29 | C24 | C25 | 1.0° | 0.1° |
| C29 | C28 | C27 | H2 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | O30 | 179.9° | 180.0° |
| O01 | C02 | N03 | C04 | 1.1° | 1.8° |
| O01 | C02 | C22 | H1 | 163.1° | 120.0° |
| O01 | C02 | N03 | H25 | 178.8° | 178.2° |
| C02 | N03 | C04 | H25 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 120.9° | 13.9° |
| C02 | N03 | C04 | C09 | 115.6° | 106.1° |
| N03 | C02 | C22 | H1 | 16.1° | 59.9° |
| C02 | N03 | C04 | H3 | 1.1° | 133.9° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.1° |
| C24 | C25 | C26 | N15 | 178.9° | 179.9° |
| C25 | C24 | C23 | H18 | 53.8° | 83.0° |
| C25 | C24 | C23 | H19 | 171.8° | 156.9° |
| C25 | C24 | C29 | H21 | 179.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.1° |
| C28 | C27 | C26 | O30 | 180.0° | 180.0° |
| C28 | C27 | C26 | N15 | 179.5° | 179.9° |
| C27 | C28 | C29 | H21 | 179.6° | 180.0° |
| C28 | C27 | O30 | H30 | 180.0° | 90.0° |
| C08 | C06 | C05 | C07 | 118.2° | 120.0° |
| C08 | C06 | C05 | H6 | 120.6° | 120.0° |
| C08 | C06 | C07 | H6 | 120.9° | 119.9° |
| C08 | C06 | C05 | C04 | 149.6° | 65.0° |
| C08 | C06 | C05 | H4 | 29.2° | 175.0° |
| C08 | C06 | C05 | H5 | 90.0° | 55.0° |
| C08 | C06 | C07 | H7 | 180.0° | 60.1° |
| C08 | C06 | C07 | H8 | 60.0° | 60.0° |
| C08 | C06 | C07 | H9 | 60.0° | 180.0° |
| C06 | C08 | H10 | H11 | 120.0° | 120.0° |
| C06 | C08 | H10 | H12 | 120.0° | 120.0° |
| C06 | C08 | H11 | H12 | 120.0° | 119.9° |
| N03 | C04 | C05 | C06 | 12.4° | 59.4° |
| N03 | C04 | C05 | C09 | 123.5° | 119.9° |
| N03 | C04 | C05 | H3 | 120.3° | 120.1° |
| N03 | C04 | C09 | H3 | 117.4° | 120.0° |
| N03 | C04 | C09 | O21 | 17.6° | 69.7° |
| N03 | C04 | C09 | N10 | 161.8° | 110.3° |
| N03 | C04 | C05 | H4 | 108.0° | 60.7° |
| N03 | C04 | C05 | H5 | 132.8° | 179.4° |
| C05 | C06 | C07 | H6 | 120.9° | 120.0° |
| C06 | C05 | C04 | H4 | 120.4° | 120.1° |
| C06 | C05 | C04 | H5 | 120.4° | 120.0° |
| C06 | C05 | C04 | C09 | 111.1° | 179.2° |
| C06 | C05 | C04 | H3 | 132.7° | 60.7° |
| C06 | C05 | H4 | H5 | 118.8° | 120.0° |
| C05 | C06 | C07 | H7 | 61.9° | 59.9° |
| C05 | C06 | C07 | H8 | 58.1° | 180.0° |
| C05 | C06 | C07 | H9 | 178.2° | 60.0° |
| C05 | C06 | C08 | H10 | 180.0° | 180.0° |
| C05 | C06 | C08 | H11 | 60.0° | 60.0° |
| C05 | C06 | C08 | H12 | 60.0° | 59.9° |
| C07 | C06 | C05 | C04 | 92.2° | 175.0° |
| C07 | C06 | C05 | H4 | 147.4° | 55.0° |
| C07 | C06 | C05 | H5 | 28.2° | 65.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H9 | 120.0° | 119.9° |
| C06 | C07 | H8 | H9 | 120.0° | 119.9° |
| C07 | C06 | C08 | H10 | 61.0° | 60.0° |
| C07 | C06 | C08 | H11 | 59.0° | 60.0° |
| C07 | C06 | C08 | H12 | 179.0° | 180.0° |
| C25 | C26 | C27 | N15 | 179.5° | 179.8° |
| C25 | C26 | C27 | O30 | 180.0° | 179.9° |
| C25 | C26 | N15 | C14 | 62.1° | 0.3° |
| C25 | C26 | N15 | C16 | 115.7° | 179.6° |
| C27 | C26 | N15 | C14 | 117.4° | 179.8° |
| C27 | C26 | N15 | C16 | 64.8° | 0.2° |
| C26 | C27 | C28 | H2 | 179.9° | 180.0° |
| C27 | C26 | C25 | H20 | 179.4° | 179.9° |
| C26 | C27 | O30 | H30 | 0.0° | 90.0° |
| O30 | C27 | C26 | N15 | 0.5° | 0.1° |
| O30 | C27 | C28 | H2 | 0.1° | 0.0° |
| C05 | C04 | C09 | H3 | 116.4° | 120.0° |
| C05 | C04 | C09 | O21 | 108.6° | 170.3° |
| C05 | C04 | C09 | N10 | 72.0° | 9.7° |
| C04 | C05 | H4 | H5 | 118.8° | 120.0° |
| C04 | C05 | C06 | H6 | 29.0° | 55.0° |
| C05 | C04 | N03 | H25 | 59.1° | 166.2° |
| C04 | C09 | O21 | N10 | 179.4° | 180.0° |
| C04 | C09 | N10 | C11 | 179.1° | 176.9° |
| C09 | C04 | C05 | H4 | 128.5° | 59.2° |
| C09 | C04 | C05 | H5 | 9.3° | 60.7° |
| C09 | C04 | N03 | H25 | 64.4° | 73.8° |
| C04 | C09 | N10 | H26 | 0.9° | 3.1° |
| C26 | N15 | C14 | C16 | 178.2° | 179.9° |
| C26 | N15 | C14 | C13 | 178.8° | 179.3° |
| C26 | N15 | C16 | N17 | 178.7° | 179.4° |
| C26 | N15 | C14 | H16 | 1.2° | 0.6° |
| C26 | N15 | C16 | H17 | 1.2° | 0.5° |
| N15 | C26 | C25 | H20 | 1.1° | 0.0° |
| O21 | C09 | N10 | C11 | 0.3° | 3.1° |
| O21 | C09 | C04 | H3 | 135.0° | 50.3° |
| O21 | C09 | N10 | H26 | 179.6° | 176.9° |
| C09 | N10 | C11 | H26 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 113.4° | 165.7° |
| C09 | N10 | C11 | C18 | 127.4° | 46.0° |
| N10 | C09 | C04 | H3 | 44.4° | 129.7° |
| C09 | N10 | C11 | H13 | 6.9° | 74.5° |
| N15 | C14 | C13 | H16 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 0.7° | 0.5° |
| N15 | C14 | C13 | N17 | 0.2° | 0.5° |
| N15 | C14 | C13 | C12 | 179.6° | 179.3° |
| C14 | N15 | C16 | H17 | 179.3° | 179.5° |
| C16 | N15 | C14 | C13 | 0.6° | 0.6° |
| N15 | C16 | N17 | H17 | 180.0° | 180.0° |
| N15 | C16 | N17 | C13 | 0.5° | 0.2° |
| C16 | N15 | C14 | H16 | 179.4° | 179.4° |
| C14 | C13 | N17 | C16 | 0.2° | 0.2° |
| C14 | C13 | N17 | C12 | 179.4° | 179.8° |
| C14 | C13 | C12 | C11 | 66.7° | 27.5° |
| C14 | C13 | C12 | H14 | 173.6° | 92.3° |
| C14 | C13 | C12 | H15 | 53.0° | 147.4° |
| N10 | C11 | C12 | C13 | 72.6° | 52.9° |
| N10 | C11 | C12 | C18 | 118.5° | 119.7° |
| N10 | C11 | C12 | H13 | 121.3° | 119.9° |
| N10 | C11 | C18 | H13 | 121.2° | 120.7° |
| N10 | C11 | C18 | O20 | 11.9° | 19.0° |
| N10 | C11 | C18 | O19 | 167.9° | 161.0° |
| N10 | C11 | C12 | H14 | 167.7° | 67.0° |
| N10 | C11 | C12 | H15 | 47.0° | 172.7° |
| C16 | N17 | C13 | C12 | 179.2° | 179.6° |
| N17 | C13 | C12 | C11 | 112.6° | 152.2° |
| N17 | C13 | C12 | H14 | 7.1° | 88.0° |
| N17 | C13 | C12 | H15 | 127.7° | 32.3° |
| N17 | C13 | C14 | H16 | 179.7° | 179.6° |
| C13 | N17 | C16 | H17 | 179.5° | 179.8° |
| C13 | C12 | C11 | H14 | 119.7° | 119.9° |
| C13 | C12 | C11 | H15 | 119.7° | 119.9° |
| C13 | C12 | C11 | C18 | 168.9° | 66.9° |
| C13 | C12 | C11 | H13 | 48.7° | 172.8° |
| C13 | C12 | H14 | H15 | 121.0° | 120.2° |
| C12 | C13 | C14 | H16 | 0.3° | 0.7° |
| C12 | C11 | C18 | H13 | 120.0° | 120.4° |
| C12 | C11 | C18 | O20 | 130.8° | 100.0° |
| C12 | C11 | C18 | O19 | 49.1° | 80.0° |
| C11 | C12 | H14 | H15 | 121.0° | 120.2° |
| C12 | C11 | N10 | H26 | 66.6° | 14.3° |
| C11 | C18 | O20 | O19 | 179.9° | 180.0° |
| C18 | C11 | C12 | H14 | 49.3° | 173.2° |
| C18 | C11 | C12 | H15 | 71.4° | 53.0° |
| C18 | C11 | N10 | H26 | 52.6° | 134.0° |
| C11 | C18 | O19 | H29 | 179.9° | 180.0° |
| O20 | C18 | C11 | H13 | 109.2° | 139.6° |
| O20 | C18 | O19 | H29 | 0.0° | 0.0° |
| O19 | C18 | C11 | H13 | 70.9° | 40.4° |
| H1 | C22 | C23 | H18 | 19.5° | 69.9° |
| H1 | C22 | C23 | H19 | 98.5° | 50.3° |
| H1 | C22 | N31 | H27 | 94.1° | 163.9° |
| H2 | C28 | C29 | H21 | 0.4° | 0.0° |
| H3 | C04 | C05 | H4 | 12.3° | 179.2° |
| H3 | C04 | C05 | H5 | 106.9° | 59.3° |
| H3 | C04 | N03 | H25 | 178.9° | 46.1° |
| H4 | C05 | C06 | H6 | 91.4° | 65.0° |
| H5 | C05 | C06 | H6 | 149.4° | 175.0° |
| H6 | C06 | C07 | H7 | 59.1° | 180.0° |
| H6 | C06 | C07 | H8 | 179.1° | 60.0° |
| H6 | C06 | C07 | H9 | 60.9° | 60.0° |
| H6 | C06 | C08 | H10 | 59.8° | 60.0° |
| H6 | C06 | C08 | H11 | 179.8° | 180.0° |
| H6 | C06 | C08 | H12 | 60.2° | 60.0° |
| H7 | C07 | H8 | H9 | 120.0° | 120.1° |
| H10 | C08 | H11 | H12 | 120.0° | 120.1° |
| H13 | C11 | C12 | H14 | 71.0° | 52.9° |
| H13 | C11 | C12 | H15 | 168.3° | 67.3° |
| H13 | C11 | N10 | H26 | 173.1° | 105.5° |
| H22 | C32 | H23 | H24 | 120.0° | 120.0° |
| H22 | C32 | N31 | H27 | 59.8° | 51.1° |
| H23 | C32 | N31 | H27 | 60.3° | 69.0° |
| H24 | C32 | N31 | H27 | 179.8° | 171.0° |
