NTL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C34 | sing | 1.47Å | 1.50Å | |
| N33 | C32 | sing | 1.47Å | 1.55Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| O36 | C35 | sing | 1.43Å | 1.40Å | |
| C32 | C35 | sing | 1.53Å | 1.64Å | |
| C32 | C29 | sing | 1.53Å | 1.63Å | |
| C35 | C26 | sing | 1.53Å | 1.63Å | |
| C02 | N03 | sing | 1.47Å | 1.49Å | |
| N03 | C04 | sing | 1.47Å | 1.49Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| O31 | C29 | sing | 1.43Å | 1.39Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | O25 | sing | 1.43Å | 1.41Å | |
| C26 | O27 | sing | 1.43Å | 1.38Å | |
| C04 | C24 | sing | 1.53Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| O25 | C24 | sing | 1.43Å | 1.39Å | |
| C28 | O27 | sing | 1.43Å | 1.40Å | |
| C24 | C22 | sing | 1.53Å | 1.61Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C22 | O23 | sing | 1.43Å | 1.39Å | |
| C22 | C08 | sing | 1.53Å | 1.62Å | |
| C06 | N07 | sing | 1.47Å | 1.50Å | |
| C06 | C08 | sing | 1.53Å | 1.58Å | |
| C08 | O09 | sing | 1.43Å | 1.45Å | |
| N14 | C13 | sing | 1.47Å | 1.48Å | |
| O09 | C10 | sing | 1.43Å | 1.45Å | |
| O11 | C10 | sing | 1.43Å | 1.43Å | |
| O11 | C12 | sing | 1.35Å | 1.44Å | |
| C10 | C17 | sing | 1.53Å | 1.56Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C12 | C15 | doub | 1.31Å | 1.31Å | |
| C15 | C16 | sing | 1.50Å | 1.50Å | |
| C17 | N18 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| N18 | C19 | sing | 1.35Å | 1.38Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | O21 | doub | 1.21Å | 1.23Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | 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 | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 1.01Å | 1.00Å | |
| N07 | H38 | sing | 1.01Å | 1.00Å | |
| N07 | H39 | sing | 1.01Å | 1.00Å | |
| N14 | H41 | sing | 1.01Å | 1.00Å | |
| N14 | H42 | sing | 1.01Å | 1.00Å | |
| N18 | H44 | sing | 0.97Å | 1.00Å | |
| N33 | H45 | sing | 1.01Å | 1.00Å | |
| O23 | H47 | sing | 0.97Å | 0.95Å | |
| O31 | H48 | sing | 0.97Å | 0.95Å | |
| O36 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N33 | C32 | 117.9° | 111.0° |
| N33 | C34 | H32 | 109.5° | 109.5° |
| N33 | C34 | H33 | 109.5° | 109.5° |
| N33 | C34 | H34 | 109.5° | 109.4° |
| C34 | N33 | H45 | 107.3° | 111.0° |
| N33 | C32 | C35 | 112.9° | 109.5° |
| N33 | C32 | C29 | 117.1° | 109.5° |
| N33 | C32 | H31 | 103.7° | 109.6° |
| C32 | N33 | H45 | 107.3° | 111.0° |
| C01 | C02 | N03 | 113.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.5° | 109.5° |
| C01 | C02 | H5 | 108.5° | 109.4° |
| O36 | C35 | C32 | 112.2° | 109.6° |
| O36 | C35 | C26 | 106.3° | 109.5° |
| O36 | C35 | H35 | 109.7° | 109.6° |
| C35 | O36 | H49 | 109.5° | 114.0° |
| C35 | C32 | C29 | 114.8° | 109.0° |
| C32 | C35 | C26 | 114.7° | 109.1° |
| C35 | C32 | H31 | 103.0° | 109.5° |
| C32 | C35 | H35 | 106.8° | 109.5° |
| C32 | C29 | C30 | 107.0° | 109.5° |
| C32 | C29 | O31 | 104.8° | 109.6° |
| C32 | C29 | C28 | 112.3° | 109.2° |
| C29 | C32 | H31 | 103.0° | 109.6° |
| C35 | C26 | O25 | 113.8° | 109.5° |
| C35 | C26 | O27 | 110.6° | 109.4° |
| C35 | C26 | H25 | 106.2° | 109.5° |
| C26 | C35 | H35 | 106.9° | 109.5° |
| C02 | N03 | C04 | 117.4° | 111.0° |
| N03 | C02 | H4 | 108.5° | 109.5° |
| N03 | C02 | H5 | 108.5° | 109.5° |
| C02 | N03 | H36 | 107.5° | 111.0° |
| N03 | C04 | C24 | 111.3° | 109.5° |
| N03 | C04 | C05 | 110.9° | 109.5° |
| N03 | C04 | H6 | 108.6° | 109.4° |
| C04 | N03 | H36 | 107.4° | 111.0° |
| C30 | C29 | O31 | 107.1° | 109.5° |
| C30 | C29 | C28 | 111.7° | 109.5° |
| C29 | C30 | H28 | 109.5° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.4° |
| O31 | C29 | C28 | 113.5° | 109.5° |
| C29 | O31 | H48 | 109.5° | 114.1° |
| C29 | C28 | O27 | 113.0° | 109.4° |
| C29 | C28 | H26 | 108.6° | 109.5° |
| C29 | C28 | H27 | 108.6° | 109.4° |
| O25 | C26 | O27 | 107.9° | 109.5° |
| C26 | O25 | C24 | 119.3° | 114.0° |
| O25 | C26 | H25 | 108.9° | 109.5° |
| C26 | O27 | C28 | 119.3° | 114.1° |
| O27 | C26 | H25 | 109.4° | 109.4° |
| C24 | C04 | C05 | 110.5° | 109.5° |
| C04 | C24 | O25 | 110.4° | 109.5° |
| C04 | C24 | C22 | 109.0° | 109.5° |
| C24 | C04 | H6 | 107.4° | 109.5° |
| C04 | C24 | H24 | 108.4° | 109.5° |
| C04 | C05 | C06 | 116.5° | 109.5° |
| C05 | C04 | H6 | 107.9° | 109.5° |
| C04 | C05 | H7 | 107.7° | 109.5° |
| C04 | C05 | H8 | 107.7° | 109.5° |
| O25 | C24 | C22 | 109.7° | 109.5° |
| O25 | C24 | H24 | 111.2° | 109.4° |
| O27 | C28 | H26 | 108.6° | 109.5° |
| O27 | C28 | H27 | 108.6° | 109.5° |
| C24 | C22 | O23 | 104.6° | 109.5° |
| C24 | C22 | C08 | 112.3° | 109.5° |
| C24 | C22 | H23 | 109.1° | 109.4° |
| C22 | C24 | H24 | 108.2° | 109.5° |
| C05 | C06 | N07 | 110.9° | 109.5° |
| C05 | C06 | C08 | 111.9° | 109.5° |
| C06 | C05 | H7 | 107.7° | 109.4° |
| C06 | C05 | H8 | 107.7° | 109.5° |
| C05 | C06 | H9 | 107.8° | 109.5° |
| O23 | C22 | C08 | 109.7° | 109.5° |
| O23 | C22 | H23 | 112.1° | 109.5° |
| C22 | O23 | H47 | 109.5° | 114.0° |
| C22 | C08 | C06 | 109.4° | 109.5° |
| C22 | C08 | O09 | 112.6° | 109.5° |
| C22 | C08 | H10 | 107.6° | 109.5° |
| C08 | C22 | H23 | 108.9° | 109.5° |
| N07 | C06 | C08 | 110.1° | 109.4° |
| N07 | C06 | H9 | 108.5° | 109.5° |
| C06 | N07 | H38 | 109.5° | 110.9° |
| C06 | N07 | H39 | 109.4° | 111.0° |
| C06 | C08 | O09 | 109.2° | 109.5° |
| C08 | C06 | H9 | 107.6° | 109.5° |
| C06 | C08 | H10 | 108.1° | 109.5° |
| C08 | O09 | C10 | 114.4° | 114.0° |
| O09 | C08 | H10 | 109.8° | 109.4° |
| N14 | C13 | C12 | 119.1° | 109.5° |
| N14 | C13 | H13 | 107.0° | 109.5° |
| N14 | C13 | H14 | 107.0° | 109.5° |
| C13 | N14 | H41 | 109.5° | 111.0° |
| C13 | N14 | H42 | 109.5° | 111.0° |
| O09 | C10 | O11 | 122.1° | 109.7° |
| O09 | C10 | C17 | 105.5° | 109.7° |
| O09 | C10 | H11 | 105.9° | 109.7° |
| C10 | O11 | C12 | 114.1° | 117.6° |
| O11 | C10 | C17 | 111.0° | 108.3° |
| O11 | C10 | H11 | 106.2° | 109.8° |
| O11 | C12 | C13 | 112.8° | 118.3° |
| O11 | C12 | C15 | 119.9° | 123.3° |
| C10 | C17 | N18 | 111.7° | 109.7° |
| C10 | C17 | C16 | 106.6° | 108.2° |
| C17 | C10 | H11 | 104.8° | 109.7° |
| C10 | C17 | H19 | 106.3° | 109.7° |
| C13 | C12 | C15 | 123.8° | 118.3° |
| C12 | C13 | H13 | 107.0° | 109.4° |
| C12 | C13 | H14 | 107.0° | 109.4° |
| C12 | C15 | C16 | 123.1° | 122.5° |
| C12 | C15 | H15 | 118.5° | 118.8° |
| C15 | C16 | C17 | 110.6° | 109.4° |
| C16 | C15 | H15 | 118.4° | 118.7° |
| C15 | C16 | H17 | 109.2° | 109.4° |
| C15 | C16 | H18 | 109.2° | 109.4° |
| N18 | C17 | C16 | 117.7° | 109.7° |
| C17 | N18 | C19 | 124.2° | 120.0° |
| N18 | C17 | H19 | 107.6° | 109.7° |
| C17 | N18 | H44 | 117.9° | 120.0° |
| C17 | C16 | H17 | 109.2° | 109.6° |
| C17 | C16 | H18 | 109.2° | 109.5° |
| C16 | C17 | H19 | 106.2° | 109.8° |
| N18 | C19 | C20 | 124.7° | 120.0° |
| N18 | C19 | O21 | 117.3° | 120.0° |
| C19 | N18 | H44 | 117.9° | 120.0° |
| C20 | C19 | O21 | 117.9° | 120.0° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H30 | 109.4° | 109.4° |
| H29 | C30 | H30 | 109.4° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H34 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.4° | 109.5° |
| H38 | N07 | H39 | 109.5° | 111.0° |
| H41 | N14 | H42 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N33 | C32 | H45 | 121.2° | 123.9° |
| C34 | N33 | C32 | C35 | 59.7° | 85.0° |
| C34 | N33 | C32 | C29 | 77.0° | 155.5° |
| C34 | N33 | C32 | H31 | 170.4° | 35.2° |
| N33 | C34 | H32 | H33 | 120.0° | 120.0° |
| N33 | C34 | H32 | H34 | 120.0° | 119.9° |
| N33 | C34 | H33 | H34 | 120.0° | 119.9° |
| N33 | C32 | C35 | O36 | 4.8° | 57.0° |
| N33 | C32 | C35 | C29 | 137.8° | 119.8° |
| N33 | C32 | C35 | H31 | 111.1° | 120.3° |
| N33 | C32 | C29 | H31 | 113.0° | 120.3° |
| N33 | C32 | C35 | C26 | 116.7° | 176.8° |
| N33 | C32 | C29 | C30 | 13.1° | 56.9° |
| N33 | C32 | C29 | O31 | 126.6° | 63.2° |
| N33 | C32 | C29 | C28 | 109.8° | 176.8° |
| C32 | N33 | C34 | H32 | 180.0° | 60.0° |
| C32 | N33 | C34 | H33 | 60.0° | 60.0° |
| C32 | N33 | C34 | H34 | 60.0° | 180.0° |
| N33 | C32 | C35 | H35 | 125.2° | 63.3° |
| C01 | C02 | N03 | H4 | 120.5° | 120.0° |
| C01 | C02 | N03 | H5 | 120.5° | 119.9° |
| C01 | C02 | N03 | C04 | 170.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | H4 | H5 | 118.3° | 120.0° |
| C01 | C02 | N03 | H36 | 48.9° | 56.0° |
| O36 | C35 | C32 | C26 | 121.5° | 119.9° |
| O36 | C35 | C32 | H35 | 120.3° | 120.3° |
| O36 | C35 | C32 | C29 | 142.6° | 62.9° |
| O36 | C35 | C26 | H35 | 117.2° | 120.2° |
| O36 | C35 | C26 | O25 | 37.1° | 57.7° |
| O36 | C35 | C26 | O27 | 158.7° | 62.3° |
| O36 | C35 | C26 | H25 | 82.7° | 177.7° |
| O36 | C35 | C32 | H31 | 106.3° | 177.2° |
| C35 | C32 | C29 | H31 | 111.1° | 119.9° |
| C32 | C35 | C26 | H35 | 118.2° | 119.8° |
| C35 | C32 | C29 | C30 | 149.0° | 62.9° |
| C35 | C32 | C29 | O31 | 97.5° | 176.9° |
| C35 | C32 | C29 | C28 | 26.1° | 57.0° |
| C32 | C35 | C26 | O25 | 87.5° | 177.6° |
| C32 | C35 | C26 | O27 | 34.1° | 57.6° |
| C32 | C35 | C26 | H25 | 152.6° | 62.3° |
| C35 | C32 | N33 | H45 | 179.0° | 38.9° |
| C32 | C35 | O36 | H49 | 180.0° | 180.0° |
| C29 | C32 | C35 | C26 | 21.1° | 57.0° |
| C32 | C29 | C30 | O31 | 111.9° | 120.2° |
| C32 | C29 | C30 | C28 | 123.3° | 119.7° |
| C32 | C29 | O31 | C28 | 122.9° | 119.7° |
| C32 | C29 | C28 | O27 | 45.5° | 57.6° |
| C32 | C29 | C28 | H26 | 75.0° | 177.6° |
| C32 | C29 | C28 | H27 | 166.0° | 62.3° |
| C32 | C29 | C30 | H28 | 180.0° | 69.5° |
| C32 | C29 | C30 | H29 | 60.0° | 50.5° |
| C32 | C29 | C30 | H30 | 60.0° | 170.5° |
| C29 | C32 | C35 | H35 | 97.1° | 176.9° |
| C29 | C32 | N33 | H45 | 44.2° | 80.6° |
| C32 | C29 | O31 | H48 | 180.0° | 179.7° |
| C35 | C26 | O25 | O27 | 123.1° | 120.0° |
| C35 | C26 | O25 | H25 | 118.3° | 120.1° |
| C35 | C26 | O27 | H25 | 116.6° | 120.0° |
| C35 | C26 | O25 | C24 | 129.1° | 170.1° |
| C35 | C26 | O27 | C28 | 59.6° | 61.1° |
| C26 | C35 | C32 | H31 | 132.2° | 62.9° |
| C26 | C35 | O36 | H49 | 53.9° | 60.3° |
| C02 | N03 | C04 | H36 | 121.1° | 124.0° |
| C02 | N03 | C04 | C24 | 66.1° | 155.0° |
| C02 | N03 | C04 | C05 | 57.5° | 84.9° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 59.9° |
| N03 | C02 | C01 | H3 | 60.0° | 180.0° |
| N03 | C02 | H4 | H5 | 118.3° | 120.0° |
| C02 | N03 | C04 | H6 | 175.9° | 35.0° |
| N03 | C04 | C24 | C05 | 123.8° | 120.0° |
| N03 | C04 | C24 | H6 | 118.7° | 119.9° |
| N03 | C04 | C05 | H6 | 118.8° | 120.0° |
| N03 | C04 | C24 | O25 | 61.2° | 60.0° |
| N03 | C04 | C24 | C22 | 178.3° | 180.0° |
| N03 | C04 | C05 | C06 | 177.6° | 180.0° |
| C04 | N03 | C02 | H4 | 69.5° | 60.0° |
| C04 | N03 | C02 | H5 | 49.4° | 60.1° |
| N03 | C04 | C05 | H7 | 56.6° | 60.0° |
| N03 | C04 | C05 | H8 | 61.3° | 60.0° |
| N03 | C04 | C24 | H24 | 60.8° | 60.0° |
| C30 | C29 | O31 | C28 | 123.7° | 120.1° |
| C30 | C29 | C28 | O27 | 165.7° | 62.3° |
| C30 | C29 | C28 | H26 | 45.2° | 57.7° |
| C30 | C29 | C28 | H27 | 73.8° | 177.8° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H30 | 120.0° | 119.9° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C30 | C29 | C32 | H31 | 99.9° | 177.2° |
| C30 | C29 | O31 | H48 | 66.5° | 60.1° |
| O31 | C29 | C28 | O27 | 73.1° | 177.6° |
| O31 | C29 | C28 | H26 | 166.3° | 62.4° |
| O31 | C29 | C28 | H27 | 47.4° | 57.7° |
| O31 | C29 | C30 | H28 | 68.0° | 170.2° |
| O31 | C29 | C30 | H29 | 171.9° | 69.7° |
| O31 | C29 | C30 | H30 | 52.0° | 50.3° |
| O31 | C29 | C32 | H31 | 13.6° | 57.1° |
| C29 | C28 | O27 | C26 | 68.0° | 61.1° |
| C29 | C28 | O27 | H26 | 120.5° | 120.0° |
| C29 | C28 | O27 | H27 | 120.5° | 119.9° |
| C29 | C28 | H26 | H27 | 118.4° | 120.0° |
| C28 | C29 | C30 | H28 | 56.8° | 50.2° |
| C28 | C29 | C30 | H29 | 63.3° | 170.2° |
| C28 | C29 | C30 | H30 | 176.8° | 69.8° |
| C28 | C29 | C32 | H31 | 137.2° | 62.9° |
| C28 | C29 | O31 | H48 | 57.2° | 60.0° |
| O25 | C26 | O27 | H25 | 118.3° | 120.0° |
| C26 | O25 | C24 | C04 | 126.2° | 150.0° |
| O25 | C26 | O27 | C28 | 65.5° | 178.8° |
| C26 | O25 | C24 | C22 | 113.8° | 90.0° |
| C26 | O25 | C24 | H24 | 5.9° | 30.0° |
| O25 | C26 | C35 | H35 | 154.3° | 62.5° |
| O27 | C26 | O25 | C24 | 107.8° | 69.9° |
| C26 | O27 | C28 | H26 | 52.6° | 178.9° |
| C26 | O27 | C28 | H27 | 171.5° | 58.8° |
| O27 | C26 | C35 | H35 | 84.1° | 177.4° |
| C24 | C04 | C05 | H6 | 117.1° | 120.0° |
| C04 | C24 | O25 | C22 | 120.1° | 120.0° |
| C04 | C24 | O25 | H24 | 120.3° | 120.0° |
| C04 | C24 | C22 | H24 | 117.7° | 120.0° |
| C24 | C04 | C05 | C06 | 53.6° | 60.0° |
| C04 | C24 | C22 | O23 | 177.1° | 180.0° |
| C04 | C24 | C22 | C08 | 58.1° | 60.0° |
| C24 | C04 | C05 | H7 | 67.4° | 60.0° |
| C24 | C04 | C05 | H8 | 174.7° | 180.0° |
| C04 | C24 | C22 | H23 | 62.8° | 60.0° |
| C24 | C04 | N03 | H36 | 172.8° | 31.0° |
| C05 | C04 | C24 | O25 | 175.0° | 180.0° |
| C05 | C04 | C24 | C22 | 54.5° | 60.0° |
| C04 | C05 | C06 | H7 | 121.0° | 120.0° |
| C04 | C05 | C06 | H8 | 121.0° | 120.0° |
| C04 | C05 | C06 | N07 | 175.4° | 179.9° |
| C04 | C05 | C06 | C08 | 52.1° | 60.0° |
| C04 | C05 | H7 | H8 | 116.8° | 120.0° |
| C04 | C05 | C06 | H9 | 65.9° | 60.0° |
| C05 | C04 | C24 | H24 | 63.0° | 60.0° |
| C05 | C04 | N03 | H36 | 63.7° | 151.1° |
| O25 | C24 | C22 | H24 | 121.4° | 120.0° |
| O25 | C24 | C22 | O23 | 62.0° | 60.0° |
| O25 | C24 | C22 | C08 | 179.0° | 180.0° |
| O25 | C24 | C04 | H6 | 57.6° | 60.0° |
| O25 | C24 | C22 | H23 | 58.1° | 60.0° |
| C24 | O25 | C26 | H25 | 10.7° | 50.0° |
| C28 | O27 | C26 | H25 | 176.3° | 58.9° |
| O27 | C28 | H26 | H27 | 118.4° | 120.0° |
| C24 | C22 | O23 | C08 | 120.7° | 120.0° |
| C24 | C22 | O23 | H23 | 118.1° | 120.0° |
| C24 | C22 | C08 | H23 | 121.0° | 120.0° |
| C24 | C22 | C08 | C06 | 56.2° | 60.0° |
| C24 | C22 | C08 | O09 | 177.8° | 180.0° |
| C22 | C24 | C04 | H6 | 62.9° | 60.0° |
| C24 | C22 | C08 | H10 | 61.0° | 60.0° |
| C24 | C22 | O23 | H47 | 180.0° | 174.1° |
| C05 | C06 | C08 | C22 | 50.8° | 60.0° |
| C05 | C06 | N07 | C08 | 124.3° | 120.0° |
| C05 | C06 | N07 | H9 | 118.2° | 120.0° |
| C05 | C06 | C08 | H9 | 118.2° | 120.0° |
| C05 | C06 | C08 | O09 | 174.4° | 180.0° |
| C06 | C05 | C04 | H6 | 63.5° | 60.0° |
| C06 | C05 | H7 | H8 | 116.8° | 120.0° |
| C05 | C06 | C08 | H10 | 66.1° | 60.0° |
| C05 | C06 | N07 | H38 | 180.0° | 60.0° |
| C05 | C06 | N07 | H39 | 60.0° | 176.1° |
| O23 | C22 | C08 | H23 | 123.1° | 120.0° |
| O23 | C22 | C08 | C06 | 172.1° | 180.0° |
| O23 | C22 | C08 | O09 | 66.3° | 60.0° |
| O23 | C22 | C08 | H10 | 54.9° | 60.0° |
| O23 | C22 | C24 | H24 | 59.4° | 60.0° |
| C22 | C08 | C06 | N07 | 174.5° | 180.0° |
| C22 | C08 | C06 | O09 | 123.6° | 120.0° |
| C22 | C08 | C06 | H10 | 116.9° | 120.0° |
| C22 | C08 | O09 | H10 | 119.9° | 120.0° |
| C22 | C08 | O09 | C10 | 81.2° | 98.2° |
| C22 | C08 | C06 | H9 | 67.4° | 60.0° |
| C08 | C22 | C24 | H24 | 59.6° | 60.0° |
| C08 | C22 | O23 | H47 | 59.2° | 65.9° |
| N07 | C06 | C08 | H9 | 118.1° | 120.0° |
| N07 | C06 | C08 | O09 | 61.9° | 60.0° |
| N07 | C06 | C05 | H7 | 54.4° | 59.9° |
| N07 | C06 | C05 | H8 | 63.6° | 60.0° |
| N07 | C06 | C08 | H10 | 57.6° | 60.0° |
| C06 | N07 | H38 | H39 | 120.0° | 123.9° |
| C06 | C08 | O09 | H10 | 118.4° | 120.0° |
| C06 | C08 | O09 | C10 | 157.1° | 141.8° |
| C08 | C06 | C05 | H7 | 68.9° | 60.0° |
| C08 | C06 | C05 | H8 | 173.2° | 180.0° |
| C06 | C08 | C22 | H23 | 64.8° | 60.0° |
| C08 | C06 | N07 | H38 | 55.7° | 180.0° |
| C08 | C06 | N07 | H39 | 64.3° | 56.1° |
| C08 | O09 | C10 | O11 | 32.4° | 72.2° |
| C08 | O09 | C10 | C17 | 160.2° | 169.0° |
| O09 | C08 | C06 | H9 | 56.2° | 60.0° |
| C08 | O09 | C10 | H11 | 89.0° | 48.4° |
| O09 | C08 | C22 | H23 | 56.8° | 60.0° |
| N14 | C13 | C12 | O11 | 59.8° | 65.0° |
| N14 | C13 | C12 | H13 | 121.3° | 120.0° |
| N14 | C13 | C12 | H14 | 121.4° | 120.0° |
| N14 | C13 | C12 | C15 | 99.0° | 115.0° |
| N14 | C13 | H13 | H14 | 115.6° | 120.0° |
| C13 | N14 | H41 | H42 | 120.0° | 123.9° |
| O09 | C10 | O11 | C17 | 125.3° | 119.8° |
| O09 | C10 | O11 | H11 | 121.3° | 120.6° |
| O09 | C10 | O11 | C12 | 78.2° | 167.3° |
| O09 | C10 | C17 | H11 | 111.6° | 120.5° |
| O09 | C10 | C17 | N18 | 59.5° | 62.5° |
| O09 | C10 | C17 | C16 | 70.5° | 177.9° |
| C10 | O09 | C08 | H10 | 38.7° | 21.8° |
| O09 | C10 | C17 | H19 | 176.5° | 58.1° |
| O11 | C10 | C17 | H11 | 114.2° | 119.7° |
| C10 | O11 | C12 | C13 | 161.1° | 163.3° |
| C10 | O11 | C12 | C15 | 1.4° | 16.6° |
| O11 | C10 | C17 | N18 | 166.4° | 57.3° |
| O11 | C10 | C17 | C16 | 63.7° | 62.4° |
| O11 | C10 | C17 | H19 | 49.3° | 177.8° |
| C12 | O11 | C10 | C17 | 47.2° | 47.5° |
| O11 | C12 | C13 | C15 | 158.8° | 180.0° |
| O11 | C12 | C15 | C16 | 33.4° | 0.4° |
| C12 | O11 | C10 | H11 | 160.5° | 72.1° |
| O11 | C12 | C13 | H13 | 61.6° | 55.0° |
| O11 | C12 | C13 | H14 | 178.8° | 175.0° |
| O11 | C12 | C15 | H15 | 146.6° | 179.6° |
| C10 | C17 | C16 | C15 | 33.5° | 46.8° |
| C10 | C17 | N18 | C16 | 123.9° | 118.7° |
| C10 | C17 | N18 | H19 | 116.3° | 120.6° |
| C10 | C17 | C16 | H19 | 113.1° | 119.7° |
| C10 | C17 | N18 | C19 | 152.0° | 155.0° |
| C10 | C17 | C16 | H17 | 153.7° | 73.2° |
| C10 | C17 | C16 | H18 | 86.7° | 166.8° |
| C10 | C17 | N18 | H44 | 28.0° | 25.0° |
| C13 | C12 | C15 | C16 | 169.2° | 179.5° |
| C12 | C13 | H13 | H14 | 115.7° | 120.0° |
| C13 | C12 | C15 | H15 | 10.8° | 0.5° |
| C12 | C13 | N14 | H41 | 180.0° | 56.0° |
| C12 | C13 | N14 | H42 | 60.0° | 179.9° |
| C12 | C15 | C16 | H15 | 180.0° | 180.0° |
| C12 | C15 | C16 | C17 | 12.2° | 17.5° |
| C15 | C12 | C13 | H13 | 139.7° | 125.1° |
| C15 | C12 | C13 | H14 | 22.4° | 5.1° |
| C12 | C15 | C16 | H17 | 108.0° | 102.6° |
| C12 | C15 | C16 | H18 | 132.3° | 137.5° |
| C15 | C16 | C17 | N18 | 160.0° | 72.8° |
| C15 | C16 | C17 | H17 | 120.2° | 120.0° |
| C15 | C16 | C17 | H18 | 120.2° | 120.0° |
| C15 | C16 | H17 | H18 | 119.5° | 119.9° |
| C15 | C16 | C17 | H19 | 79.5° | 166.6° |
| N18 | C17 | C16 | H19 | 120.5° | 120.6° |
| C17 | N18 | C19 | H44 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 178.6° | 180.0° |
| C17 | N18 | C19 | O21 | 2.0° | 0.0° |
| N18 | C17 | C10 | H11 | 52.1° | 177.0° |
| N18 | C17 | C16 | H17 | 79.9° | 167.2° |
| N18 | C17 | C16 | H18 | 39.8° | 47.1° |
| C16 | C17 | N18 | C19 | 84.0° | 86.3° |
| C16 | C17 | C10 | H11 | 177.9° | 57.3° |
| C17 | C16 | C15 | H15 | 167.8° | 162.5° |
| C17 | C16 | H17 | H18 | 119.5° | 120.1° |
| C16 | C17 | N18 | H44 | 95.9° | 93.7° |
| N18 | C19 | C20 | O21 | 179.5° | 180.0° |
| C19 | N18 | C17 | H19 | 35.8° | 34.4° |
| N18 | C19 | C20 | H20 | 179.5° | 89.9° |
| N18 | C19 | C20 | H21 | 60.5° | 30.0° |
| N18 | C19 | C20 | H22 | 59.4° | 150.0° |
| C19 | C20 | H20 | H21 | 120.0° | 119.9° |
| C19 | C20 | H20 | H22 | 120.0° | 120.0° |
| C19 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C19 | N18 | H44 | 1.4° | 0.0° |
| O21 | C19 | C20 | H20 | 0.0° | 90.0° |
| O21 | C19 | C20 | H21 | 120.0° | 150.0° |
| O21 | C19 | C20 | H22 | 120.0° | 30.0° |
| O21 | C19 | N18 | H44 | 178.1° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.5° | 60.0° |
| H1 | C01 | C02 | H5 | 59.5° | 180.0° |
| H2 | C01 | C02 | H4 | 60.5° | 180.0° |
| H2 | C01 | C02 | H5 | 179.4° | 60.0° |
| H3 | C01 | C02 | H4 | 179.5° | 60.0° |
| H3 | C01 | C02 | H5 | 60.5° | 60.1° |
| H4 | C02 | N03 | H36 | 169.4° | 176.0° |
| H5 | C02 | N03 | H36 | 71.7° | 63.9° |
| H6 | C04 | C05 | H7 | 175.5° | 180.0° |
| H6 | C04 | C05 | H8 | 57.5° | 60.0° |
| H6 | C04 | C24 | H24 | 179.5° | 179.9° |
| H6 | C04 | N03 | H36 | 54.8° | 89.0° |
| H7 | C05 | C06 | H9 | 173.0° | 180.0° |
| H8 | C05 | C06 | H9 | 55.1° | 60.0° |
| H9 | C06 | C08 | H10 | 175.7° | 179.9° |
| H9 | C06 | N07 | H38 | 61.7° | 60.0° |
| H9 | C06 | N07 | H39 | 178.2° | 63.9° |
| H10 | C08 | C22 | H23 | 178.0° | 180.0° |
| H11 | C10 | C17 | H19 | 64.9° | 62.4° |
| H13 | C13 | N14 | H41 | 58.6° | 63.9° |
| H13 | C13 | N14 | H42 | 61.4° | 60.0° |
| H14 | C13 | N14 | H41 | 58.6° | 176.0° |
| H14 | C13 | N14 | H42 | 178.6° | 60.1° |
| H15 | C15 | C16 | H17 | 72.0° | 77.4° |
| H15 | C15 | C16 | H18 | 47.7° | 42.5° |
| H17 | C16 | C17 | H19 | 40.6° | 46.6° |
| H18 | C16 | C17 | H19 | 160.3° | 73.5° |
| H19 | C17 | N18 | H44 | 144.2° | 145.6° |
| H20 | C20 | H21 | H22 | 120.0° | 120.1° |
| H23 | C22 | C24 | H24 | 179.6° | 180.0° |
| H23 | C22 | O23 | H47 | 61.9° | 54.1° |
| H25 | C26 | C35 | H35 | 34.5° | 57.5° |
| H28 | C30 | H29 | H30 | 119.9° | 120.0° |
| H31 | C32 | C35 | H35 | 14.0° | 56.9° |
| H31 | C32 | N33 | H45 | 68.3° | 159.1° |
| H32 | C34 | H33 | H34 | 120.0° | 120.1° |
| H32 | C34 | N33 | H45 | 58.8° | 63.9° |
| H33 | C34 | N33 | H45 | 61.2° | 176.1° |
| H34 | C34 | N33 | H45 | 178.8° | 56.1° |
| H35 | C35 | O36 | H49 | 61.4° | 59.8° |
