3XI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C03 | N04 | sing | 1.47Å | 1.45Å | |
| C03 | C28 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N04 | C05 | sing | 1.35Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.58Å | |
| O27 | C05 | doub | 1.21Å | 1.18Å | |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | N11 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.43Å | |
| C29 | C34 | sing | 1.50Å | 1.59Å | |
| C30 | C31 | sing | 1.53Å | 1.45Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| O35 | C34 | doub | 1.21Å | 1.18Å | |
| C31 | C32 | sing | 1.53Å | 1.48Å | |
| C34 | N33 | sing | 1.33Å | 1.53Å | |
| C12 | O26 | doub | 1.21Å | 1.18Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| N33 | C32 | sing | 1.46Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | N17 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N17 | C18 | sing | 1.35Å | 1.45Å | |
| O25 | C18 | doub | 1.21Å | 1.19Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C24 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.08Å | 1.08Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| N04 | H41 | sing | 0.97Å | 1.00Å | |
| N11 | H42 | sing | 0.97Å | 1.00Å | |
| N17 | H43 | sing | 0.97Å | 1.00Å | |
| N33 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 120.1° |
| O01 | C02 | H18 | 120.0° | 119.9° |
| C02 | C03 | N04 | 110.4° | 109.5° |
| C02 | C03 | C28 | 110.4° | 109.5° |
| C03 | C02 | H18 | 120.0° | 120.0° |
| C02 | C03 | H19 | 108.8° | 109.5° |
| C09 | C08 | C07 | 110.9° | 109.4° |
| C09 | C08 | C10 | 110.0° | 109.5° |
| C09 | C08 | H23 | 108.2° | 109.5° |
| C08 | C09 | H24 | 109.5° | 109.5° |
| C08 | C09 | H25 | 109.5° | 109.5° |
| C08 | C09 | H26 | 109.5° | 109.4° |
| N04 | C03 | C28 | 108.4° | 109.5° |
| C03 | N04 | C05 | 119.2° | 120.1° |
| N04 | C03 | H19 | 109.9° | 109.4° |
| C03 | N04 | H41 | 120.4° | 119.9° |
| C03 | C28 | C29 | 111.7° | 109.4° |
| C03 | C28 | H16 | 108.9° | 109.5° |
| C03 | C28 | H17 | 108.9° | 109.5° |
| C28 | C03 | H19 | 108.8° | 109.5° |
| C08 | C07 | C06 | 112.0° | 109.5° |
| C07 | C08 | C10 | 111.2° | 109.5° |
| C08 | C07 | H21 | 108.9° | 109.4° |
| C08 | C07 | H22 | 108.9° | 109.5° |
| C07 | C08 | H23 | 108.2° | 109.5° |
| C07 | C06 | C05 | 110.7° | 109.4° |
| C07 | C06 | N11 | 110.3° | 109.5° |
| C07 | C06 | H20 | 109.2° | 109.4° |
| C06 | C07 | H21 | 108.8° | 109.5° |
| C06 | C07 | H22 | 108.8° | 109.5° |
| N04 | C05 | O27 | 119.7° | 120.0° |
| N04 | C05 | C06 | 120.4° | 120.1° |
| C05 | N04 | H41 | 120.4° | 120.0° |
| C28 | C29 | C30 | 107.6° | 109.4° |
| C28 | C29 | C34 | 108.4° | 109.4° |
| C29 | C28 | H16 | 108.9° | 109.5° |
| C29 | C28 | H17 | 108.9° | 109.5° |
| C28 | C29 | H34 | 107.1° | 109.4° |
| O27 | C05 | C06 | 119.9° | 120.0° |
| C08 | C10 | H1 | 109.5° | 109.5° |
| C08 | C10 | H2 | 109.4° | 109.4° |
| C08 | C10 | H3 | 109.4° | 109.5° |
| C10 | C08 | H23 | 108.2° | 109.5° |
| C05 | C06 | N11 | 107.1° | 109.5° |
| C05 | C06 | H20 | 109.3° | 109.5° |
| C06 | N11 | C12 | 118.9° | 120.0° |
| N11 | C06 | H20 | 110.4° | 109.5° |
| C06 | N11 | H42 | 120.6° | 120.0° |
| C30 | C29 | C34 | 117.6° | 109.9° |
| C29 | C30 | C31 | 114.3° | 108.4° |
| C30 | C29 | H34 | 108.9° | 109.4° |
| C29 | C30 | H35 | 108.2° | 109.6° |
| C29 | C30 | H36 | 108.3° | 109.7° |
| C29 | C34 | O35 | 121.0° | 118.3° |
| C29 | C34 | N33 | 118.0° | 123.5° |
| C34 | C29 | H34 | 106.9° | 109.3° |
| C30 | C31 | C32 | 110.5° | 108.7° |
| C31 | C30 | H35 | 108.3° | 109.7° |
| C31 | C30 | H36 | 108.2° | 109.7° |
| C30 | C31 | H37 | 109.2° | 109.6° |
| C30 | C31 | H38 | 109.2° | 109.7° |
| N11 | C12 | O26 | 120.2° | 120.0° |
| N11 | C12 | C13 | 120.0° | 120.0° |
| C12 | N11 | H42 | 120.6° | 120.0° |
| O35 | C34 | N33 | 121.0° | 118.2° |
| C31 | C32 | N33 | 111.7° | 110.5° |
| C32 | C31 | H37 | 109.2° | 109.6° |
| C32 | C31 | H38 | 109.2° | 109.6° |
| C31 | C32 | H39 | 108.9° | 109.3° |
| C31 | C32 | H40 | 108.9° | 109.3° |
| C34 | N33 | C32 | 113.3° | 124.1° |
| C34 | N33 | H44 | 123.3° | 118.0° |
| O26 | C12 | C13 | 119.8° | 120.0° |
| C12 | C13 | C14 | 107.0° | 109.5° |
| C12 | C13 | N17 | 111.0° | 109.5° |
| C12 | C13 | H4 | 110.0° | 109.5° |
| N33 | C32 | H39 | 108.9° | 109.4° |
| N33 | C32 | H40 | 108.9° | 109.1° |
| C32 | N33 | H44 | 123.4° | 118.0° |
| C16 | C14 | C13 | 111.6° | 109.5° |
| C16 | C14 | C15 | 112.2° | 109.5° |
| C16 | C14 | H27 | 107.4° | 109.5° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C13 | N17 | 107.8° | 109.4° |
| C13 | C14 | C15 | 110.7° | 109.5° |
| C14 | C13 | H4 | 110.0° | 109.4° |
| C13 | C14 | H27 | 107.4° | 109.4° |
| C13 | N17 | C18 | 121.0° | 120.0° |
| N17 | C13 | H4 | 111.0° | 109.5° |
| C13 | N17 | H43 | 119.5° | 120.0° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.4° | 109.5° |
| C15 | C14 | H27 | 107.4° | 109.5° |
| N17 | C18 | O25 | 120.4° | 120.0° |
| N17 | C18 | C19 | 119.3° | 120.0° |
| C18 | N17 | H43 | 119.5° | 120.0° |
| O25 | C18 | C19 | 120.3° | 120.0° |
| C18 | C19 | C20 | 109.9° | 109.5° |
| C18 | C19 | C24 | 107.8° | 109.5° |
| C18 | C19 | H31 | 108.2° | 109.5° |
| C19 | C20 | C21 | 115.2° | 109.5° |
| C20 | C19 | C24 | 114.4° | 109.4° |
| C19 | C20 | H8 | 108.0° | 109.4° |
| C19 | C20 | H9 | 108.0° | 109.4° |
| C20 | C19 | H31 | 108.1° | 109.5° |
| C20 | C21 | C22 | 113.0° | 109.4° |
| C21 | C20 | H8 | 108.0° | 109.5° |
| C21 | C20 | H9 | 108.0° | 109.5° |
| C20 | C21 | H10 | 108.6° | 109.5° |
| C20 | C21 | H11 | 108.6° | 109.4° |
| C19 | C24 | C23 | 113.5° | 109.5° |
| C19 | C24 | H14 | 108.5° | 109.5° |
| C19 | C24 | H15 | 108.5° | 109.4° |
| C24 | C19 | H31 | 108.2° | 109.4° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C22 | C21 | H10 | 108.6° | 109.5° |
| C22 | C21 | H11 | 108.6° | 109.5° |
| C21 | C22 | H12 | 109.2° | 109.5° |
| C21 | C22 | H13 | 109.2° | 109.4° |
| C24 | C23 | C22 | 111.8° | 109.5° |
| C23 | C24 | H14 | 108.5° | 109.5° |
| C23 | C24 | H15 | 108.4° | 109.5° |
| C24 | C23 | H32 | 108.9° | 109.5° |
| C24 | C23 | H33 | 108.9° | 109.5° |
| C23 | C22 | H12 | 109.2° | 109.5° |
| C23 | C22 | H13 | 109.2° | 109.5° |
| C22 | C23 | H32 | 108.9° | 109.4° |
| C22 | C23 | H33 | 108.9° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H21 | C07 | H22 | 109.4° | 109.4° |
| H24 | C09 | H25 | 109.5° | 109.5° |
| H24 | C09 | H26 | 109.5° | 109.5° |
| H25 | C09 | H26 | 109.4° | 109.4° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| H28 | C16 | H30 | 109.4° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.7° |
| H37 | C31 | H38 | 109.5° | 109.6° |
| H39 | C32 | H40 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H18 | 180.0° | 180.0° |
| O01 | C02 | C03 | N04 | 179.2° | 0.1° |
| O01 | C02 | C03 | C28 | 60.9° | 120.0° |
| O01 | C02 | C03 | H19 | 58.5° | 120.0° |
| C02 | C03 | N04 | C28 | 121.1° | 120.0° |
| C02 | C03 | N04 | H19 | 120.1° | 119.9° |
| C02 | C03 | C28 | H19 | 119.4° | 120.0° |
| C02 | C03 | N04 | C05 | 114.7° | 86.4° |
| C02 | C03 | C28 | C29 | 177.6° | 176.1° |
| C02 | C03 | C28 | H16 | 57.3° | 63.9° |
| C02 | C03 | C28 | H17 | 62.0° | 56.1° |
| C02 | C03 | N04 | H41 | 65.3° | 93.5° |
| C09 | C08 | C07 | C10 | 122.8° | 120.0° |
| C09 | C08 | C07 | H23 | 118.5° | 120.0° |
| C09 | C08 | C07 | C06 | 148.3° | 65.0° |
| C09 | C08 | C10 | H23 | 118.0° | 120.0° |
| C09 | C08 | C10 | H1 | 180.0° | 59.9° |
| C09 | C08 | C10 | H2 | 60.0° | 60.0° |
| C09 | C08 | C10 | H3 | 60.0° | 180.0° |
| C09 | C08 | C07 | H21 | 27.9° | 175.0° |
| C09 | C08 | C07 | H22 | 91.3° | 55.0° |
| C08 | C09 | H24 | H25 | 120.0° | 120.0° |
| C08 | C09 | H24 | H26 | 120.0° | 120.0° |
| C08 | C09 | H25 | H26 | 120.0° | 120.0° |
| N04 | C03 | C28 | H19 | 119.5° | 120.0° |
| C03 | N04 | C05 | H41 | 180.0° | 180.0° |
| N04 | C03 | C28 | C29 | 56.6° | 63.9° |
| C03 | N04 | C05 | O27 | 0.0° | 0.1° |
| C03 | N04 | C05 | C06 | 179.3° | 180.0° |
| N04 | C03 | C28 | H16 | 63.8° | 56.1° |
| N04 | C03 | C28 | H17 | 176.9° | 176.1° |
| N04 | C03 | C02 | H18 | 0.8° | 180.0° |
| C28 | C03 | N04 | C05 | 124.2° | 153.5° |
| C03 | C28 | C29 | H16 | 120.3° | 120.0° |
| C03 | C28 | C29 | H17 | 120.3° | 120.0° |
| C03 | C28 | C29 | C30 | 60.2° | 63.7° |
| C03 | C28 | C29 | C34 | 171.8° | 175.9° |
| C03 | C28 | H16 | H17 | 119.0° | 120.1° |
| C28 | C03 | C02 | H18 | 119.1° | 60.0° |
| C03 | C28 | C29 | H34 | 56.8° | 56.1° |
| C28 | C03 | N04 | H41 | 55.8° | 26.5° |
| C08 | C07 | C06 | H21 | 120.4° | 120.0° |
| C08 | C07 | C06 | H22 | 120.4° | 120.0° |
| C07 | C08 | C10 | H23 | 118.7° | 120.0° |
| C08 | C07 | C06 | C05 | 165.2° | 175.0° |
| C08 | C07 | C06 | N11 | 76.5° | 65.0° |
| C07 | C08 | C10 | H1 | 56.7° | 60.0° |
| C07 | C08 | C10 | H2 | 63.3° | 180.0° |
| C07 | C08 | C10 | H3 | 176.7° | 60.1° |
| C08 | C07 | C06 | H20 | 44.9° | 55.0° |
| C08 | C07 | H21 | H22 | 118.9° | 120.0° |
| C07 | C08 | C09 | H24 | 180.0° | 60.0° |
| C07 | C08 | C09 | H25 | 60.0° | 60.0° |
| C07 | C08 | C09 | H26 | 60.0° | 180.0° |
| C07 | C06 | C05 | N04 | 107.3° | 60.0° |
| C07 | C06 | C05 | O27 | 73.4° | 120.1° |
| C06 | C07 | C08 | C10 | 88.9° | 175.0° |
| C07 | C06 | C05 | N11 | 120.2° | 120.0° |
| C07 | C06 | C05 | H20 | 120.3° | 119.9° |
| C07 | C06 | N11 | H20 | 120.7° | 119.9° |
| C07 | C06 | N11 | C12 | 158.6° | 85.0° |
| C06 | C07 | H21 | H22 | 118.8° | 120.0° |
| C06 | C07 | C08 | H23 | 29.8° | 55.0° |
| C07 | C06 | N11 | H42 | 21.4° | 95.0° |
| N04 | C05 | O27 | C06 | 179.3° | 179.9° |
| N04 | C05 | C06 | N11 | 132.4° | 180.0° |
| C05 | N04 | C03 | H19 | 5.3° | 33.5° |
| N04 | C05 | C06 | H20 | 12.9° | 59.9° |
| C28 | C29 | C30 | C34 | 122.6° | 120.1° |
| C28 | C29 | C30 | H34 | 115.7° | 119.8° |
| C28 | C29 | C34 | H34 | 115.1° | 119.8° |
| C28 | C29 | C30 | C31 | 102.7° | 169.0° |
| C28 | C29 | C34 | O35 | 48.9° | 42.3° |
| C28 | C29 | C34 | N33 | 131.5° | 137.7° |
| C29 | C28 | H16 | H17 | 119.0° | 120.0° |
| C29 | C28 | C03 | H19 | 63.0° | 56.1° |
| C28 | C29 | C30 | H35 | 18.1° | 71.3° |
| C28 | C29 | C30 | H36 | 136.6° | 49.3° |
| O27 | C05 | C06 | N11 | 46.8° | 0.1° |
| O27 | C05 | C06 | H20 | 166.3° | 120.0° |
| O27 | C05 | N04 | H41 | 180.0° | 180.0° |
| C08 | C10 | H1 | H2 | 120.0° | 119.9° |
| C08 | C10 | H1 | H3 | 120.0° | 120.1° |
| C08 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C08 | C07 | H21 | 150.7° | 55.0° |
| C10 | C08 | C07 | H22 | 31.5° | 65.0° |
| C10 | C08 | C09 | H24 | 56.5° | 60.0° |
| C10 | C08 | C09 | H25 | 63.5° | 180.0° |
| C10 | C08 | C09 | H26 | 176.5° | 60.0° |
| C05 | C06 | N11 | H20 | 118.8° | 120.1° |
| C05 | C06 | N11 | C12 | 80.9° | 155.1° |
| C05 | C06 | C07 | H21 | 44.8° | 65.0° |
| C05 | C06 | C07 | H22 | 74.4° | 55.0° |
| C06 | C05 | N04 | H41 | 0.7° | 0.1° |
| C05 | C06 | N11 | H42 | 99.1° | 25.0° |
| C06 | N11 | C12 | H42 | 180.0° | 179.9° |
| C06 | N11 | C12 | O26 | 0.2° | 5.3° |
| C06 | N11 | C12 | C13 | 179.2° | 174.8° |
| N11 | C06 | C07 | H21 | 163.1° | 55.0° |
| N11 | C06 | C07 | H22 | 43.8° | 175.0° |
| C30 | C29 | C34 | H34 | 122.7° | 120.1° |
| C29 | C30 | C31 | H35 | 120.7° | 119.7° |
| C29 | C30 | C31 | H36 | 120.7° | 119.7° |
| C30 | C29 | C34 | O35 | 171.1° | 162.4° |
| C29 | C30 | C31 | C32 | 58.8° | 67.6° |
| C30 | C29 | C34 | N33 | 9.3° | 17.6° |
| C30 | C29 | C28 | H16 | 179.5° | 176.3° |
| C30 | C29 | C28 | H17 | 60.2° | 56.3° |
| C29 | C30 | H35 | H36 | 117.8° | 120.5° |
| C29 | C30 | C31 | H37 | 61.4° | 172.7° |
| C29 | C30 | C31 | H38 | 178.9° | 52.3° |
| C34 | C29 | C30 | C31 | 19.9° | 48.9° |
| C29 | C34 | O35 | N33 | 179.6° | 180.0° |
| C29 | C34 | N33 | C32 | 0.2° | 2.2° |
| C34 | C29 | C28 | H16 | 51.4° | 55.9° |
| C34 | C29 | C28 | H17 | 67.9° | 64.1° |
| C34 | C29 | C30 | H35 | 140.6° | 168.6° |
| C34 | C29 | C30 | H36 | 100.8° | 70.8° |
| C29 | C34 | N33 | H44 | 179.8° | 177.8° |
| C30 | C31 | C32 | H37 | 120.2° | 119.7° |
| C30 | C31 | C32 | H38 | 120.1° | 119.9° |
| C30 | C31 | C32 | N33 | 68.2° | 50.8° |
| C31 | C30 | C29 | H34 | 141.6° | 71.2° |
| C31 | C30 | H35 | H36 | 117.8° | 120.6° |
| C30 | C31 | H37 | H38 | 119.5° | 120.4° |
| C30 | C31 | C32 | H39 | 171.5° | 69.6° |
| C30 | C31 | C32 | H40 | 52.1° | 170.9° |
| N11 | C12 | O26 | C13 | 179.1° | 180.0° |
| N11 | C12 | C13 | C14 | 111.9° | 78.3° |
| N11 | C12 | C13 | N17 | 130.8° | 161.7° |
| N11 | C12 | C13 | H4 | 7.5° | 41.7° |
| C12 | N11 | C06 | H20 | 37.9° | 35.0° |
| O35 | C34 | N33 | C32 | 179.8° | 177.8° |
| O35 | C34 | C29 | H34 | 66.2° | 77.5° |
| O35 | C34 | N33 | H44 | 0.2° | 2.2° |
| C31 | C32 | N33 | C34 | 36.5° | 19.1° |
| C31 | C32 | N33 | H39 | 120.3° | 120.4° |
| C31 | C32 | N33 | H40 | 120.3° | 120.2° |
| C32 | C31 | C30 | H35 | 179.5° | 172.8° |
| C32 | C31 | C30 | H36 | 62.0° | 52.2° |
| C32 | C31 | H37 | H38 | 119.5° | 120.4° |
| C31 | C32 | H39 | H40 | 119.0° | 119.5° |
| C31 | C32 | N33 | H44 | 143.6° | 160.9° |
| C34 | N33 | C32 | H44 | 180.0° | 180.0° |
| N33 | C34 | C29 | H34 | 113.4° | 102.5° |
| C34 | N33 | C32 | H39 | 156.8° | 101.3° |
| C34 | N33 | C32 | H40 | 83.9° | 139.2° |
| O26 | C12 | C13 | C14 | 67.2° | 101.7° |
| O26 | C12 | C13 | N17 | 50.2° | 18.3° |
| O26 | C12 | C13 | H4 | 173.4° | 138.4° |
| O26 | C12 | N11 | H42 | 179.8° | 174.8° |
| C12 | C13 | C14 | C16 | 80.1° | 65.8° |
| C12 | C13 | C14 | N17 | 119.4° | 120.0° |
| C12 | C13 | C14 | H4 | 119.4° | 120.0° |
| C12 | C13 | N17 | H4 | 122.6° | 120.0° |
| C12 | C13 | C14 | C15 | 154.3° | 174.1° |
| C12 | C13 | N17 | C18 | 116.2° | 155.0° |
| C12 | C13 | C14 | H27 | 37.4° | 54.2° |
| C13 | C12 | N11 | H42 | 0.7° | 5.2° |
| C12 | C13 | N17 | H43 | 63.8° | 25.0° |
| N33 | C32 | C31 | H37 | 52.0° | 170.5° |
| N33 | C32 | C31 | H38 | 171.7° | 69.1° |
| N33 | C32 | H39 | H40 | 119.0° | 119.4° |
| C16 | C14 | C13 | C15 | 125.7° | 120.1° |
| C16 | C14 | C13 | H27 | 117.4° | 120.0° |
| C16 | C14 | C13 | N17 | 160.5° | 54.2° |
| C16 | C14 | C15 | H27 | 117.7° | 120.0° |
| C16 | C14 | C13 | H4 | 39.3° | 174.2° |
| C16 | C14 | C15 | H5 | 180.0° | 52.9° |
| C16 | C14 | C15 | H6 | 60.0° | 67.1° |
| C16 | C14 | C15 | H7 | 60.0° | 172.9° |
| C14 | C16 | H28 | H29 | 120.0° | 120.0° |
| C14 | C16 | H28 | H30 | 120.0° | 120.0° |
| C14 | C16 | H29 | H30 | 120.0° | 120.0° |
| C14 | C13 | N17 | H4 | 120.5° | 120.0° |
| C13 | C14 | C15 | H27 | 116.9° | 119.9° |
| C14 | C13 | N17 | C18 | 126.9° | 85.0° |
| C13 | C14 | C15 | H5 | 54.6° | 67.1° |
| C13 | C14 | C15 | H6 | 174.6° | 172.9° |
| C13 | C14 | C15 | H7 | 65.4° | 52.9° |
| C13 | C14 | C16 | H28 | 180.0° | 60.0° |
| C13 | C14 | C16 | H29 | 60.0° | 180.0° |
| C13 | C14 | C16 | H30 | 60.0° | 60.1° |
| C14 | C13 | N17 | H43 | 53.0° | 95.0° |
| N17 | C13 | C14 | C15 | 34.8° | 65.8° |
| C13 | N17 | C18 | H43 | 180.0° | 180.0° |
| C13 | N17 | C18 | O25 | 0.1° | 0.0° |
| C13 | N17 | C18 | C19 | 179.2° | 180.0° |
| N17 | C13 | C14 | H27 | 82.1° | 174.2° |
| C15 | C14 | C13 | H4 | 86.4° | 54.2° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H28 | 55.1° | 180.0° |
| C15 | C14 | C16 | H29 | 175.2° | 60.0° |
| C15 | C14 | C16 | H30 | 64.9° | 60.0° |
| N17 | C18 | O25 | C19 | 179.3° | 180.0° |
| N17 | C18 | C19 | C20 | 111.0° | 180.0° |
| N17 | C18 | C19 | C24 | 123.7° | 60.0° |
| C18 | N17 | C13 | H4 | 6.4° | 35.0° |
| N17 | C18 | C19 | H31 | 6.9° | 60.0° |
| O25 | C18 | C19 | C20 | 69.7° | 0.0° |
| O25 | C18 | C19 | C24 | 55.6° | 120.0° |
| O25 | C18 | C19 | H31 | 172.4° | 120.0° |
| O25 | C18 | N17 | H43 | 179.9° | 180.0° |
| C18 | C19 | C20 | C24 | 121.4° | 120.0° |
| C18 | C19 | C20 | H31 | 118.0° | 120.1° |
| C18 | C19 | C20 | C21 | 170.2° | 180.0° |
| C18 | C19 | C24 | H31 | 116.8° | 120.1° |
| C18 | C19 | C24 | C23 | 147.3° | 180.0° |
| C18 | C19 | C20 | H8 | 49.4° | 60.0° |
| C18 | C19 | C20 | H9 | 68.9° | 60.0° |
| C18 | C19 | C24 | H14 | 92.1° | 60.0° |
| C18 | C19 | C24 | H15 | 26.7° | 60.0° |
| C19 | C18 | N17 | H43 | 0.8° | 0.0° |
| C19 | C20 | C21 | H8 | 120.8° | 119.9° |
| C19 | C20 | C21 | H9 | 120.8° | 120.0° |
| C20 | C19 | C24 | H31 | 120.6° | 120.0° |
| C19 | C20 | C21 | C22 | 14.3° | 60.0° |
| C20 | C19 | C24 | C23 | 24.7° | 60.0° |
| C19 | C20 | H8 | H9 | 117.4° | 120.0° |
| C19 | C20 | C21 | H10 | 134.8° | 60.0° |
| C19 | C20 | C21 | H11 | 106.2° | 180.0° |
| C20 | C19 | C24 | H14 | 145.3° | 180.0° |
| C20 | C19 | C24 | H15 | 95.8° | 60.0° |
| C21 | C20 | C19 | C24 | 48.8° | 60.0° |
| C20 | C21 | C22 | H10 | 120.5° | 120.0° |
| C20 | C21 | C22 | H11 | 120.5° | 119.9° |
| C20 | C21 | C22 | C23 | 40.7° | 60.0° |
| C21 | C20 | H8 | H9 | 117.4° | 120.1° |
| C20 | C21 | H10 | H11 | 118.4° | 120.0° |
| C20 | C21 | C22 | H12 | 160.8° | 60.0° |
| C20 | C21 | C22 | H13 | 79.5° | 180.0° |
| C21 | C20 | C19 | H31 | 71.8° | 59.9° |
| C19 | C24 | C23 | H14 | 120.6° | 120.0° |
| C19 | C24 | C23 | H15 | 120.6° | 120.0° |
| C19 | C24 | C23 | C22 | 30.3° | 60.0° |
| C24 | C19 | C20 | H8 | 72.0° | 180.0° |
| C24 | C19 | C20 | H9 | 169.6° | 60.0° |
| C19 | C24 | H14 | H15 | 118.2° | 120.0° |
| C19 | C24 | C23 | H32 | 150.6° | 180.0° |
| C19 | C24 | C23 | H33 | 90.1° | 60.0° |
| C21 | C22 | C23 | C24 | 65.2° | 60.0° |
| C21 | C22 | C23 | H12 | 120.2° | 120.0° |
| C21 | C22 | C23 | H13 | 120.2° | 120.0° |
| C22 | C21 | C20 | H8 | 106.6° | 180.0° |
| C22 | C21 | C20 | H9 | 135.1° | 60.0° |
| C22 | C21 | H10 | H11 | 118.4° | 120.1° |
| C21 | C22 | H12 | H13 | 119.6° | 119.9° |
| C21 | C22 | C23 | H32 | 174.5° | 180.0° |
| C21 | C22 | C23 | H33 | 55.1° | 60.0° |
| C24 | C23 | C22 | H32 | 120.3° | 120.0° |
| C24 | C23 | C22 | H33 | 120.3° | 120.0° |
| C24 | C23 | C22 | H12 | 174.6° | 60.0° |
| C24 | C23 | C22 | H13 | 55.0° | 180.0° |
| C23 | C24 | H14 | H15 | 118.2° | 120.0° |
| C23 | C24 | C19 | H31 | 95.9° | 60.0° |
| C24 | C23 | H32 | H33 | 118.9° | 120.0° |
| C23 | C22 | C21 | H10 | 79.9° | 59.9° |
| C23 | C22 | C21 | H11 | 161.2° | 180.0° |
| C23 | C22 | H12 | H13 | 119.5° | 120.0° |
| C22 | C23 | C24 | H14 | 90.3° | 180.0° |
| C22 | C23 | C24 | H15 | 150.9° | 60.0° |
| C22 | C23 | H32 | H33 | 119.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C08 | H23 | 62.0° | 180.0° |
| H2 | C10 | C08 | H23 | 178.0° | 60.0° |
| H3 | C10 | C08 | H23 | 58.0° | 60.0° |
| H4 | C13 | C14 | H27 | 156.8° | 65.8° |
| H4 | C13 | N17 | H43 | 173.6° | 145.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H5 | C15 | C14 | H27 | 62.3° | 173.0° |
| H6 | C15 | C14 | H27 | 57.7° | 53.0° |
| H7 | C15 | C14 | H27 | 177.7° | 67.0° |
| H8 | C20 | C21 | H10 | 14.0° | 60.0° |
| H8 | C20 | C21 | H11 | 132.9° | 60.0° |
| H8 | C20 | C19 | H31 | 167.4° | 60.0° |
| H9 | C20 | C21 | H10 | 104.4° | 180.0° |
| H9 | C20 | C21 | H11 | 14.6° | 60.0° |
| H9 | C20 | C19 | H31 | 49.0° | 180.0° |
| H10 | C21 | C22 | H12 | 40.3° | 180.0° |
| H10 | C21 | C22 | H13 | 160.0° | 60.1° |
| H11 | C21 | C22 | H12 | 78.7° | 59.9° |
| H11 | C21 | C22 | H13 | 41.0° | 60.0° |
| H12 | C22 | C23 | H32 | 54.3° | 60.0° |
| H12 | C22 | C23 | H33 | 65.0° | 180.0° |
| H13 | C22 | C23 | H32 | 65.4° | 60.0° |
| H13 | C22 | C23 | H33 | 175.3° | 60.0° |
| H14 | C24 | C19 | H31 | 24.7° | 60.1° |
| H14 | C24 | C23 | H32 | 30.0° | 60.0° |
| H14 | C24 | C23 | H33 | 149.3° | 60.0° |
| H15 | C24 | C19 | H31 | 143.6° | 179.9° |
| H15 | C24 | C23 | H32 | 88.8° | 60.0° |
| H15 | C24 | C23 | H33 | 30.5° | 180.0° |
| H16 | C28 | C03 | H19 | 176.7° | 176.1° |
| H16 | C28 | C29 | H34 | 63.5° | 63.9° |
| H17 | C28 | C03 | H19 | 57.3° | 63.9° |
| H17 | C28 | C29 | H34 | 177.1° | 176.2° |
| H18 | C02 | C03 | H19 | 121.5° | 60.0° |
| H19 | C03 | N04 | H41 | 174.7° | 146.6° |
| H20 | C06 | C07 | H21 | 75.5° | 175.0° |
| H20 | C06 | C07 | H22 | 165.3° | 65.0° |
| H20 | C06 | N11 | H42 | 142.1° | 145.1° |
| H21 | C07 | C08 | H23 | 90.6° | 65.0° |
| H22 | C07 | C08 | H23 | 150.2° | 175.0° |
| H23 | C08 | C09 | H24 | 61.5° | 180.0° |
| H23 | C08 | C09 | H25 | 178.5° | 60.0° |
| H23 | C08 | C09 | H26 | 58.5° | 60.0° |
| H24 | C09 | H25 | H26 | 120.0° | 120.0° |
| H27 | C14 | C16 | H28 | 62.6° | 60.0° |
| H27 | C14 | C16 | H29 | 57.4° | 60.0° |
| H27 | C14 | C16 | H30 | 177.4° | 180.0° |
| H28 | C16 | H29 | H30 | 120.0° | 119.9° |
| H34 | C29 | C30 | H35 | 97.7° | 48.5° |
| H34 | C29 | C30 | H36 | 20.8° | 169.1° |
| H35 | C30 | C31 | H37 | 59.3° | 53.0° |
| H35 | C30 | C31 | H38 | 60.4° | 67.3° |
| H36 | C30 | C31 | H37 | 177.9° | 67.6° |
| H36 | C30 | C31 | H38 | 58.2° | 172.1° |
| H37 | C31 | C32 | H39 | 68.3° | 50.1° |
| H37 | C31 | C32 | H40 | 172.3° | 69.4° |
| H38 | C31 | C32 | H39 | 51.4° | 170.5° |
| H38 | C31 | C32 | H40 | 68.0° | 50.9° |
| H39 | C32 | N33 | H44 | 23.3° | 78.7° |
| H40 | C32 | N33 | H44 | 96.1° | 40.8° |
