Y65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N43 | C42 | sing | 1.47Å | 0.00Å | |
| C42 | C44 | sing | 1.51Å | 0.00Å | |
| C42 | C41 | sing | 1.53Å | 0.00Å | |
| C44 | O45 | doub | 1.21Å | 0.00Å | |
| C44 | O46 | sing | 1.34Å | 0.00Å | |
| C41 | C39 | sing | 1.51Å | 0.00Å | |
| C39 | N38 | sing | 1.34Å | 0.00Å | Aromatic |
| C39 | C40 | doub | 1.35Å | 0.00Å | Aromatic |
| N38 | C37 | doub | 1.30Å | 0.00Å | Aromatic |
| C40 | N36 | sing | 1.37Å | 0.00Å | Aromatic |
| O35 | C02 | sing | 1.43Å | 0.00Å | |
| C37 | N36 | sing | 1.35Å | 0.00Å | Aromatic |
| N36 | C01 | sing | 1.46Å | 0.00Å | |
| C01 | C02 | sing | 1.55Å | 0.00Å | |
| C01 | O05 | sing | 1.44Å | 0.00Å | |
| C02 | C03 | sing | 1.55Å | 0.00Å | |
| O34 | C03 | sing | 1.43Å | 0.00Å | |
| O05 | C04 | sing | 1.44Å | 0.00Å | |
| C03 | C04 | sing | 1.54Å | 0.00Å | |
| C04 | C06 | sing | 1.53Å | 0.00Å | |
| C06 | O07 | sing | 1.43Å | 0.00Å | |
| O07 | P08 | sing | 1.61Å | 0.00Å | |
| P08 | O10 | doub | 1.48Å | 0.00Å | |
| P08 | O11 | sing | 1.61Å | 0.00Å | |
| P08 | O09 | sing | 1.61Å | 0.00Å | |
| O13 | P12 | doub | 1.48Å | 0.00Å | |
| O14 | P12 | sing | 1.61Å | 0.00Å | |
| O11 | P12 | sing | 1.61Å | 0.00Å | |
| P12 | O15 | sing | 1.61Å | 0.00Å | |
| O15 | C16 | sing | 1.43Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C17 | C18 | sing | 1.54Å | 0.00Å | |
| C17 | O21 | sing | 1.44Å | 0.00Å | |
| C23 | N24 | doub | 1.30Å | 0.00Å | Aromatic |
| C23 | N22 | sing | 1.36Å | 0.00Å | Aromatic |
| C18 | C19 | sing | 1.54Å | 0.00Å | |
| C18 | O33 | sing | 1.43Å | 0.00Å | |
| N24 | C25 | sing | 1.35Å | 0.00Å | Aromatic |
| C19 | C20 | sing | 1.54Å | 0.00Å | |
| C19 | O32 | sing | 1.43Å | 0.00Å | |
| O21 | C20 | sing | 1.44Å | 0.00Å | |
| N31 | C26 | sing | 1.38Å | 0.00Å | |
| N22 | C20 | sing | 1.47Å | 0.00Å | |
| N22 | C30 | sing | 1.37Å | 0.00Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 0.00Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 0.00Å | Aromatic |
| C26 | N27 | sing | 1.33Å | 0.00Å | Aromatic |
| C30 | N29 | doub | 1.33Å | 0.00Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 0.00Å | Aromatic |
| N29 | C28 | sing | 1.32Å | 0.00Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 0.00Å | |
| C02 | H2 | sing | 1.09Å | 0.00Å | |
| C03 | H3 | sing | 1.09Å | 0.00Å | |
| C04 | H4 | sing | 1.09Å | 0.00Å | |
| C16 | H5 | sing | 1.09Å | 0.00Å | |
| C16 | H6 | sing | 1.09Å | 0.00Å | |
| C18 | H7 | sing | 1.09Å | 0.00Å | |
| C06 | H8 | sing | 1.09Å | 0.00Å | |
| C06 | H9 | sing | 1.09Å | 0.00Å | |
| C17 | H10 | sing | 1.09Å | 0.00Å | |
| C19 | H11 | sing | 1.09Å | 0.00Å | |
| C20 | H12 | sing | 1.09Å | 0.00Å | |
| C23 | H13 | sing | 1.08Å | 0.00Å | |
| C28 | H14 | sing | 1.08Å | 0.00Å | |
| C37 | H15 | sing | 1.08Å | 0.00Å | |
| C40 | H16 | sing | 1.08Å | 0.00Å | |
| C41 | H17 | sing | 1.09Å | 0.00Å | |
| C41 | H18 | sing | 1.09Å | 0.00Å | |
| C42 | H19 | sing | 1.09Å | 0.00Å | |
| N31 | H20 | sing | 0.97Å | 0.00Å | |
| N31 | H21 | sing | 0.97Å | 0.00Å | |
| N43 | H22 | sing | 1.01Å | 0.00Å | |
| N43 | H23 | sing | 1.01Å | 0.00Å | |
| O09 | H25 | sing | 0.97Å | 0.00Å | |
| O14 | H26 | sing | 0.97Å | 0.00Å | |
| O32 | H27 | sing | 0.97Å | 0.00Å | |
| O33 | H28 | sing | 0.97Å | 0.00Å | |
| O34 | H29 | sing | 0.97Å | 0.00Å | |
| O35 | H30 | sing | 0.97Å | 0.00Å | |
| O46 | H31 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N43 | C42 | C44 | 90.0° | 109.5° |
| N43 | C42 | C41 | 90.0° | 109.5° |
| N43 | C42 | H19 | 90.0° | 109.5° |
| C42 | N43 | H22 | 90.0° | 111.0° |
| C42 | N43 | H23 | 90.0° | 110.9° |
| C44 | C42 | C41 | 90.0° | 109.4° |
| C42 | C44 | O45 | 90.0° | 120.0° |
| C42 | C44 | O46 | 90.0° | 120.0° |
| C44 | C42 | H19 | 90.0° | 109.5° |
| C42 | C41 | C39 | 90.0° | 109.4° |
| C42 | C41 | H17 | 90.0° | 109.5° |
| C42 | C41 | H18 | 90.0° | 109.5° |
| C41 | C42 | H19 | 90.0° | 109.5° |
| O45 | C44 | O46 | 90.0° | 120.0° |
| C44 | O46 | H31 | 90.0° | 116.9° |
| C41 | C39 | N38 | 90.0° | 126.0° |
| C41 | C39 | C40 | 90.0° | 126.0° |
| C39 | C41 | H17 | 90.0° | 109.4° |
| C39 | C41 | H18 | 90.0° | 109.4° |
| N38 | C39 | C40 | 90.0° | 108.0° |
| C39 | N38 | C37 | 90.0° | 109.3° |
| C39 | C40 | N36 | 90.0° | 106.8° |
| C39 | C40 | H16 | 90.0° | 126.6° |
| N38 | C37 | N36 | 90.0° | 108.7° |
| N38 | C37 | H15 | 90.0° | 125.6° |
| C40 | N36 | C37 | 90.0° | 107.2° |
| C40 | N36 | C01 | 90.0° | 126.4° |
| N36 | C40 | H16 | 90.0° | 126.6° |
| O35 | C02 | C01 | 90.0° | 110.9° |
| O35 | C02 | C03 | 90.0° | 110.9° |
| O35 | C02 | H2 | 90.0° | 110.8° |
| C02 | O35 | H30 | 90.0° | 114.0° |
| C37 | N36 | C01 | 90.0° | 126.4° |
| N36 | C37 | H15 | 90.0° | 125.6° |
| N36 | C01 | C02 | 90.0° | 110.6° |
| N36 | C01 | O05 | 90.0° | 110.6° |
| N36 | C01 | H1 | 90.0° | 110.7° |
| C02 | C01 | O05 | 90.0° | 103.5° |
| C01 | C02 | C03 | 90.0° | 102.1° |
| C02 | C01 | H1 | 90.0° | 110.6° |
| C01 | C02 | H2 | 90.0° | 110.9° |
| C01 | O05 | C04 | 90.0° | 107.0° |
| O05 | C01 | H1 | 90.0° | 110.6° |
| C02 | C03 | O34 | 90.0° | 110.5° |
| C02 | C03 | C04 | 90.0° | 104.1° |
| C03 | C02 | H2 | 90.0° | 111.0° |
| C02 | C03 | H3 | 90.0° | 110.4° |
| O34 | C03 | C04 | 90.0° | 110.5° |
| O34 | C03 | H3 | 90.0° | 110.6° |
| C03 | O34 | H29 | 90.0° | 114.0° |
| O05 | C04 | C03 | 90.0° | 107.3° |
| O05 | C04 | C06 | 90.0° | 109.9° |
| O05 | C04 | H4 | 90.0° | 110.0° |
| C03 | C04 | C06 | 90.0° | 109.9° |
| C04 | C03 | H3 | 90.0° | 110.5° |
| C03 | C04 | H4 | 90.0° | 109.9° |
| C04 | C06 | O07 | 90.0° | 109.5° |
| C06 | C04 | H4 | 90.0° | 109.8° |
| C04 | C06 | H8 | 90.0° | 109.5° |
| C04 | C06 | H9 | 90.0° | 109.4° |
| C06 | O07 | P08 | 90.0° | 123.0° |
| O07 | C06 | H8 | 90.0° | 109.5° |
| O07 | C06 | H9 | 90.0° | 109.5° |
| O07 | P08 | O10 | 90.0° | 109.5° |
| O07 | P08 | O11 | 90.0° | 109.5° |
| O07 | P08 | O09 | 90.0° | 109.4° |
| O10 | P08 | O11 | 90.0° | 109.5° |
| O10 | P08 | O09 | 90.0° | 109.5° |
| O11 | P08 | O09 | 90.0° | 109.5° |
| P08 | O11 | P12 | 90.0° | 134.0° |
| P08 | O09 | H25 | 90.0° | 114.1° |
| O13 | P12 | O14 | 90.0° | 109.4° |
| O13 | P12 | O11 | 90.0° | 109.5° |
| O13 | P12 | O15 | 90.0° | 109.4° |
| O14 | P12 | O11 | 90.0° | 109.5° |
| O14 | P12 | O15 | 90.0° | 109.5° |
| P12 | O14 | H26 | 90.0° | 114.0° |
| O11 | P12 | O15 | 90.0° | 109.5° |
| P12 | O15 | C16 | 90.0° | 123.0° |
| O15 | C16 | C17 | 90.0° | 109.5° |
| O15 | C16 | H5 | 90.0° | 109.4° |
| O15 | C16 | H6 | 90.0° | 109.5° |
| C16 | C17 | C18 | 90.0° | 110.4° |
| C16 | C17 | O21 | 90.0° | 110.4° |
| C17 | C16 | H5 | 90.0° | 109.5° |
| C17 | C16 | H6 | 90.0° | 109.5° |
| C16 | C17 | H10 | 90.0° | 110.3° |
| C18 | C17 | O21 | 90.0° | 104.8° |
| C17 | C18 | C19 | 90.0° | 104.1° |
| C17 | C18 | O33 | 90.0° | 110.5° |
| C17 | C18 | H7 | 90.0° | 110.6° |
| C18 | C17 | H10 | 90.0° | 110.3° |
| C17 | O21 | C20 | 90.0° | 105.3° |
| O21 | C17 | H10 | 90.0° | 110.5° |
| N24 | C23 | N22 | 90.0° | 110.0° |
| C23 | N24 | C25 | 90.0° | 109.4° |
| N24 | C23 | H13 | 90.0° | 125.0° |
| C23 | N22 | C20 | 90.0° | 126.3° |
| C23 | N22 | C30 | 90.0° | 107.5° |
| N22 | C23 | H13 | 90.0° | 125.0° |
| C19 | C18 | O33 | 90.0° | 110.5° |
| C18 | C19 | C20 | 90.0° | 104.1° |
| C18 | C19 | O32 | 90.0° | 110.5° |
| C19 | C18 | H7 | 90.0° | 110.5° |
| C18 | C19 | H11 | 90.0° | 110.5° |
| O33 | C18 | H7 | 90.0° | 110.4° |
| C18 | O33 | H28 | 90.0° | 113.9° |
| N24 | C25 | C26 | 90.0° | 134.7° |
| N24 | C25 | C30 | 90.0° | 107.2° |
| C20 | C19 | O32 | 90.0° | 110.5° |
| C19 | C20 | O21 | 90.0° | 104.8° |
| C19 | C20 | N22 | 90.0° | 110.4° |
| C20 | C19 | H11 | 90.0° | 110.5° |
| C19 | C20 | H12 | 90.0° | 110.4° |
| O32 | C19 | H11 | 90.0° | 110.6° |
| C19 | O32 | H27 | 90.0° | 114.0° |
| O21 | C20 | N22 | 90.0° | 110.3° |
| O21 | C20 | H12 | 90.0° | 110.4° |
| N31 | C26 | C25 | 90.0° | 120.8° |
| N31 | C26 | N27 | 90.0° | 120.8° |
| C26 | N31 | H20 | 90.0° | 120.0° |
| C26 | N31 | H21 | 90.0° | 120.0° |
| C20 | N22 | C30 | 90.0° | 126.2° |
| N22 | C20 | H12 | 90.0° | 110.4° |
| N22 | C30 | C25 | 90.0° | 106.0° |
| N22 | C30 | N29 | 90.0° | 135.0° |
| C26 | C25 | C30 | 90.0° | 118.2° |
| C25 | C26 | N27 | 90.0° | 118.4° |
| C25 | C30 | N29 | 90.0° | 119.1° |
| C26 | N27 | C28 | 90.0° | 121.2° |
| C30 | N29 | C28 | 90.0° | 120.7° |
| N27 | C28 | N29 | 90.0° | 122.4° |
| N27 | C28 | H14 | 90.0° | 118.8° |
| N29 | C28 | H14 | 90.0° | 118.8° |
| H5 | C16 | H6 | 90.0° | 109.4° |
| H8 | C06 | H9 | 90.0° | 109.5° |
| H17 | C41 | H18 | 90.0° | 109.5° |
| H20 | N31 | H21 | 90.0° | 120.0° |
| H22 | N43 | H23 | 90.0° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N43 | C42 | C44 | C41 | 90.0° | 120.0° |
| N43 | C42 | C44 | H19 | 90.0° | 120.0° |
| N43 | C42 | C41 | H19 | 90.0° | 120.0° |
| N43 | C42 | C44 | O45 | 90.0° | 20.0° |
| N43 | C42 | C44 | O46 | 90.0° | 160.0° |
| N43 | C42 | C41 | C39 | 90.0° | 65.0° |
| N43 | C42 | C41 | H17 | 90.0° | 175.0° |
| N43 | C42 | C41 | H18 | 90.0° | 54.9° |
| C42 | N43 | H22 | H23 | 90.0° | 123.8° |
| C44 | C42 | C41 | H19 | 90.0° | 120.0° |
| C42 | C44 | O45 | O46 | 90.0° | 180.0° |
| C44 | C42 | C41 | C39 | 90.0° | 175.0° |
| C44 | C42 | C41 | H17 | 90.0° | 55.0° |
| C44 | C42 | C41 | H18 | 90.0° | 65.1° |
| C44 | C42 | N43 | H22 | 90.0° | 60.1° |
| C44 | C42 | N43 | H23 | 90.0° | 176.1° |
| C42 | C44 | O46 | H31 | 90.0° | 180.0° |
| C41 | C42 | C44 | O45 | 90.0° | 100.0° |
| C41 | C42 | C44 | O46 | 90.0° | 80.0° |
| C42 | C41 | C39 | H17 | 90.0° | 120.0° |
| C42 | C41 | C39 | H18 | 90.0° | 120.0° |
| C42 | C41 | C39 | N38 | 90.0° | 55.0° |
| C42 | C41 | C39 | C40 | 90.0° | 125.2° |
| C42 | C41 | H17 | H18 | 90.0° | 120.1° |
| C41 | C42 | N43 | H22 | 90.0° | 59.9° |
| C41 | C42 | N43 | H23 | 90.0° | 63.9° |
| O45 | C44 | C42 | H19 | 90.0° | 140.0° |
| O45 | C44 | O46 | H31 | 90.0° | 0.0° |
| O46 | C44 | C42 | H19 | 90.0° | 40.0° |
| C41 | C39 | N38 | C40 | 90.0° | 179.8° |
| C41 | C39 | N38 | C37 | 90.0° | 180.0° |
| C41 | C39 | C40 | N36 | 90.0° | 179.8° |
| C41 | C39 | C40 | H16 | 90.0° | 0.2° |
| C39 | C41 | H17 | H18 | 90.0° | 120.0° |
| C39 | C41 | C42 | H19 | 90.0° | 55.0° |
| N38 | C39 | C40 | N36 | 90.0° | 0.4° |
| C39 | N38 | C37 | N36 | 90.0° | 0.0° |
| C39 | N38 | C37 | H15 | 90.0° | 179.7° |
| N38 | C39 | C40 | H16 | 90.0° | 180.0° |
| N38 | C39 | C41 | H17 | 90.0° | 65.0° |
| N38 | C39 | C41 | H18 | 90.0° | 175.0° |
| C40 | C39 | N38 | C37 | 90.0° | 0.2° |
| C39 | C40 | N36 | H16 | 90.0° | 179.6° |
| C39 | C40 | N36 | C37 | 90.0° | 0.4° |
| C39 | C40 | N36 | C01 | 90.0° | 179.7° |
| C40 | C39 | C41 | H17 | 90.0° | 114.8° |
| C40 | C39 | C41 | H18 | 90.0° | 5.3° |
| N38 | C37 | N36 | C40 | 90.0° | 0.2° |
| N38 | C37 | N36 | H15 | 90.0° | 179.7° |
| N38 | C37 | N36 | C01 | 90.0° | 179.8° |
| C40 | N36 | C37 | C01 | 90.0° | 180.0° |
| C40 | N36 | C01 | C02 | 90.0° | 100.0° |
| C40 | N36 | C01 | O05 | 90.0° | 145.9° |
| C40 | N36 | C01 | H1 | 90.0° | 23.0° |
| C40 | N36 | C37 | H15 | 90.0° | 179.9° |
| O35 | C02 | C01 | N36 | 90.0° | 86.3° |
| O35 | C02 | C01 | C03 | 90.0° | 118.1° |
| O35 | C02 | C01 | H2 | 90.0° | 123.6° |
| O35 | C02 | C01 | O05 | 90.0° | 155.2° |
| O35 | C02 | C03 | H2 | 90.0° | 123.6° |
| O35 | C02 | C03 | O34 | 90.0° | 20.4° |
| O35 | C02 | C03 | C04 | 90.0° | 139.1° |
| O35 | C02 | C01 | H1 | 90.0° | 36.7° |
| O35 | C02 | C03 | H3 | 90.0° | 102.3° |
| C37 | N36 | C01 | C02 | 90.0° | 80.0° |
| C37 | N36 | C01 | O05 | 90.0° | 34.1° |
| C37 | N36 | C01 | H1 | 90.0° | 157.1° |
| C37 | N36 | C40 | H16 | 90.0° | 180.0° |
| N36 | C01 | C02 | O05 | 90.0° | 118.5° |
| N36 | C01 | C02 | H1 | 90.0° | 123.0° |
| N36 | C01 | O05 | H1 | 90.0° | 123.0° |
| N36 | C01 | C02 | C03 | 90.0° | 155.6° |
| N36 | C01 | O05 | C04 | 90.0° | 158.6° |
| N36 | C01 | C02 | H2 | 90.0° | 37.3° |
| C01 | N36 | C37 | H15 | 90.0° | 0.1° |
| C01 | N36 | C40 | H16 | 90.0° | 0.0° |
| C02 | C01 | O05 | H1 | 90.0° | 118.5° |
| C01 | C02 | C03 | H2 | 90.0° | 118.2° |
| C01 | C02 | C03 | O34 | 90.0° | 97.8° |
| C02 | C01 | O05 | C04 | 90.0° | 40.1° |
| C01 | C02 | C03 | C04 | 90.0° | 20.9° |
| C01 | C02 | C03 | H3 | 90.0° | 139.6° |
| C01 | C02 | O35 | H30 | 90.0° | 180.0° |
| O05 | C01 | C02 | C03 | 90.0° | 37.1° |
| C01 | O05 | C04 | C03 | 90.0° | 26.5° |
| C01 | O05 | C04 | C06 | 90.0° | 145.9° |
| O05 | C01 | C02 | H2 | 90.0° | 81.2° |
| C01 | O05 | C04 | H4 | 90.0° | 93.0° |
| C02 | C03 | O34 | C04 | 90.0° | 114.7° |
| C02 | C03 | O34 | H3 | 90.0° | 122.6° |
| C02 | C03 | C04 | O05 | 90.0° | 2.0° |
| C02 | C03 | C04 | H3 | 90.0° | 118.6° |
| C02 | C03 | C04 | C06 | 90.0° | 121.5° |
| C03 | C02 | C01 | H1 | 90.0° | 81.4° |
| C02 | C03 | C04 | H4 | 90.0° | 117.6° |
| C02 | C03 | O34 | H29 | 90.0° | 61.5° |
| C03 | C02 | O35 | H30 | 90.0° | 67.3° |
| O34 | C03 | C04 | O05 | 90.0° | 120.7° |
| O34 | C03 | C04 | H3 | 90.0° | 122.7° |
| O34 | C03 | C04 | C06 | 90.0° | 119.9° |
| O34 | C03 | C02 | H2 | 90.0° | 144.0° |
| O34 | C03 | C04 | H4 | 90.0° | 1.1° |
| O05 | C04 | C03 | C06 | 90.0° | 119.5° |
| O05 | C04 | C03 | H4 | 90.0° | 119.6° |
| O05 | C04 | C06 | H4 | 90.0° | 121.2° |
| O05 | C04 | C06 | O07 | 90.0° | 67.1° |
| C04 | O05 | C01 | H1 | 90.0° | 78.4° |
| O05 | C04 | C03 | H3 | 90.0° | 116.6° |
| O05 | C04 | C06 | H8 | 90.0° | 172.8° |
| O05 | C04 | C06 | H9 | 90.0° | 52.8° |
| C03 | C04 | C06 | H4 | 90.0° | 121.0° |
| C03 | C04 | C06 | O07 | 90.0° | 175.0° |
| C04 | C03 | C02 | H2 | 90.0° | 97.3° |
| C03 | C04 | C06 | H8 | 90.0° | 55.0° |
| C03 | C04 | C06 | H9 | 90.0° | 65.0° |
| C04 | C03 | O34 | H29 | 90.0° | 176.2° |
| C04 | C06 | O07 | H8 | 90.0° | 120.0° |
| C04 | C06 | O07 | H9 | 90.0° | 120.0° |
| C04 | C06 | O07 | P08 | 90.0° | 180.0° |
| C06 | C04 | C03 | H3 | 90.0° | 2.9° |
| C04 | C06 | H8 | H9 | 90.0° | 120.0° |
| C06 | O07 | P08 | O10 | 90.0° | 54.9° |
| C06 | O07 | P08 | O11 | 90.0° | 174.9° |
| C06 | O07 | P08 | O09 | 90.0° | 65.0° |
| O07 | C06 | C04 | H4 | 90.0° | 54.0° |
| O07 | C06 | H8 | H9 | 90.0° | 120.0° |
| O07 | P08 | O10 | O11 | 90.0° | 120.0° |
| O07 | P08 | O10 | O09 | 90.0° | 119.9° |
| O07 | P08 | O11 | O09 | 90.0° | 120.0° |
| O07 | P08 | O11 | P12 | 90.0° | 165.1° |
| P08 | O07 | C06 | H8 | 90.0° | 60.0° |
| P08 | O07 | C06 | H9 | 90.0° | 60.0° |
| O07 | P08 | O09 | H25 | 90.0° | 60.1° |
| O10 | P08 | O11 | O09 | 90.0° | 120.0° |
| O10 | P08 | O11 | P12 | 90.0° | 45.1° |
| O10 | P08 | O09 | H25 | 90.0° | 180.0° |
| P08 | O11 | P12 | O13 | 90.0° | 40.1° |
| P08 | O11 | P12 | O14 | 90.0° | 79.9° |
| P08 | O11 | P12 | O15 | 90.0° | 160.0° |
| O11 | P08 | O09 | H25 | 90.0° | 59.9° |
| O09 | P08 | O11 | P12 | 90.0° | 74.9° |
| O13 | P12 | O14 | O11 | 90.0° | 120.0° |
| O13 | P12 | O14 | O15 | 90.0° | 119.9° |
| O13 | P12 | O11 | O15 | 90.0° | 120.0° |
| O13 | P12 | O15 | C16 | 90.0° | 55.0° |
| O13 | P12 | O14 | H26 | 90.0° | 180.0° |
| O14 | P12 | O11 | O15 | 90.0° | 120.0° |
| O14 | P12 | O15 | C16 | 90.0° | 65.0° |
| O11 | P12 | O15 | C16 | 90.0° | 174.9° |
| O11 | P12 | O14 | H26 | 90.0° | 60.0° |
| P12 | O15 | C16 | C17 | 90.0° | 180.0° |
| P12 | O15 | C16 | H5 | 90.0° | 60.0° |
| P12 | O15 | C16 | H6 | 90.0° | 60.0° |
| O15 | P12 | O14 | H26 | 90.0° | 60.0° |
| O15 | C16 | C17 | H5 | 90.0° | 120.0° |
| O15 | C16 | C17 | H6 | 90.0° | 120.1° |
| O15 | C16 | C17 | C18 | 90.0° | 175.0° |
| O15 | C16 | C17 | O21 | 90.0° | 69.7° |
| O15 | C16 | H5 | H6 | 90.0° | 120.0° |
| O15 | C16 | C17 | H10 | 90.0° | 52.8° |
| C16 | C17 | C18 | O21 | 90.0° | 118.8° |
| C16 | C17 | C18 | H10 | 90.0° | 122.2° |
| C16 | C17 | O21 | H10 | 90.0° | 122.3° |
| C16 | C17 | C18 | C19 | 90.0° | 142.8° |
| C16 | C17 | C18 | O33 | 90.0° | 98.5° |
| C16 | C17 | O21 | C20 | 90.0° | 159.4° |
| C17 | C16 | H5 | H6 | 90.0° | 120.0° |
| C16 | C17 | C18 | H7 | 90.0° | 24.1° |
| C18 | C17 | O21 | H10 | 90.0° | 118.9° |
| C17 | C18 | C19 | O33 | 90.0° | 118.6° |
| C17 | C18 | C19 | H7 | 90.0° | 118.8° |
| C17 | C18 | O33 | H7 | 90.0° | 122.7° |
| C17 | C18 | C19 | C20 | 90.0° | 0.0° |
| C17 | C18 | C19 | O32 | 90.0° | 118.7° |
| C18 | C17 | O21 | C20 | 90.0° | 40.5° |
| C18 | C17 | C16 | H5 | 90.0° | 55.0° |
| C18 | C17 | C16 | H6 | 90.0° | 65.0° |
| C17 | C18 | C19 | H11 | 90.0° | 118.6° |
| C17 | C18 | O33 | H28 | 90.0° | 176.1° |
| O21 | C17 | C18 | C19 | 90.0° | 24.0° |
| O21 | C17 | C18 | O33 | 90.0° | 142.7° |
| C17 | O21 | C20 | C19 | 90.0° | 40.6° |
| C17 | O21 | C20 | N22 | 90.0° | 159.4° |
| O21 | C17 | C16 | H5 | 90.0° | 170.4° |
| O21 | C17 | C16 | H6 | 90.0° | 50.4° |
| O21 | C17 | C18 | H7 | 90.0° | 94.7° |
| C17 | O21 | C20 | H12 | 90.0° | 78.3° |
| N24 | C23 | N22 | H13 | 90.0° | 179.7° |
| N24 | C23 | N22 | C20 | 90.0° | 180.0° |
| N24 | C23 | N22 | C30 | 90.0° | 0.0° |
| C23 | N24 | C25 | C26 | 90.0° | 179.9° |
| C23 | N24 | C25 | C30 | 90.0° | 0.1° |
| N22 | C23 | N24 | C25 | 90.0° | 0.1° |
| C23 | N22 | C20 | C19 | 90.0° | 91.8° |
| C23 | N22 | C20 | O21 | 90.0° | 23.6° |
| C23 | N22 | C20 | C30 | 90.0° | 180.0° |
| C23 | N22 | C30 | C25 | 90.0° | 0.0° |
| C23 | N22 | C30 | N29 | 90.0° | 180.0° |
| C23 | N22 | C20 | H12 | 90.0° | 145.9° |
| C19 | C18 | O33 | H7 | 90.0° | 122.6° |
| C18 | C19 | C20 | O32 | 90.0° | 118.7° |
| C18 | C19 | C20 | H11 | 90.0° | 118.6° |
| C18 | C19 | O32 | H11 | 90.0° | 122.6° |
| C18 | C19 | C20 | O21 | 90.0° | 24.0° |
| C18 | C19 | C20 | N22 | 90.0° | 142.8° |
| C19 | C18 | C17 | H10 | 90.0° | 95.0° |
| C18 | C19 | C20 | H12 | 90.0° | 94.9° |
| C18 | C19 | O32 | H27 | 90.0° | 61.4° |
| C19 | C18 | O33 | H28 | 90.0° | 61.5° |
| O33 | C18 | C19 | C20 | 90.0° | 118.6° |
| O33 | C18 | C19 | O32 | 90.0° | 0.0° |
| O33 | C18 | C17 | H10 | 90.0° | 23.7° |
| O33 | C18 | C19 | H11 | 90.0° | 122.7° |
| N24 | C25 | C26 | N31 | 90.0° | 0.1° |
| N24 | C25 | C30 | N22 | 90.0° | 0.1° |
| N24 | C25 | C26 | C30 | 90.0° | 180.0° |
| N24 | C25 | C26 | N27 | 90.0° | 180.0° |
| N24 | C25 | C30 | N29 | 90.0° | 180.0° |
| C25 | N24 | C23 | H13 | 90.0° | 179.7° |
| C20 | C19 | O32 | H11 | 90.0° | 122.7° |
| C19 | C20 | O21 | N22 | 90.0° | 118.8° |
| C19 | C20 | O21 | H12 | 90.0° | 118.8° |
| C19 | C20 | N22 | H12 | 90.0° | 122.3° |
| C19 | C20 | N22 | C30 | 90.0° | 88.2° |
| C20 | C19 | C18 | H7 | 90.0° | 118.8° |
| C20 | C19 | O32 | H27 | 90.0° | 176.0° |
| O32 | C19 | C20 | O21 | 90.0° | 142.7° |
| O32 | C19 | C20 | N22 | 90.0° | 98.6° |
| O32 | C19 | C18 | H7 | 90.0° | 122.5° |
| O32 | C19 | C20 | H12 | 90.0° | 23.8° |
| O21 | C20 | N22 | H12 | 90.0° | 122.3° |
| O21 | C20 | N22 | C30 | 90.0° | 156.5° |
| C20 | O21 | C17 | H10 | 90.0° | 78.3° |
| O21 | C20 | C19 | H11 | 90.0° | 94.6° |
| N31 | C26 | C25 | N27 | 90.0° | 180.0° |
| N31 | C26 | C25 | C30 | 90.0° | 179.9° |
| N31 | C26 | N27 | C28 | 90.0° | 180.0° |
| C26 | N31 | H20 | H21 | 90.0° | 180.0° |
| C20 | N22 | C30 | C25 | 90.0° | 180.0° |
| C20 | N22 | C30 | N29 | 90.0° | 0.0° |
| N22 | C20 | C19 | H11 | 90.0° | 24.2° |
| C20 | N22 | C23 | H13 | 90.0° | 0.4° |
| N22 | C30 | C25 | C26 | 90.0° | 179.9° |
| N22 | C30 | C25 | N29 | 90.0° | 179.9° |
| N22 | C30 | N29 | C28 | 90.0° | 179.9° |
| C30 | N22 | C20 | H12 | 90.0° | 34.1° |
| C30 | N22 | C23 | H13 | 90.0° | 179.7° |
| C26 | C25 | C30 | N29 | 90.0° | 0.0° |
| C25 | C26 | N27 | C28 | 90.0° | 0.0° |
| C25 | C26 | N31 | H20 | 90.0° | 0.0° |
| C25 | C26 | N31 | H21 | 90.0° | 180.0° |
| C30 | C25 | C26 | N27 | 90.0° | 0.0° |
| C25 | C30 | N29 | C28 | 90.0° | 0.0° |
| C26 | N27 | C28 | N29 | 90.0° | 0.1° |
| C26 | N27 | C28 | H14 | 90.0° | 180.0° |
| N27 | C26 | N31 | H20 | 90.0° | 179.9° |
| N27 | C26 | N31 | H21 | 90.0° | 0.1° |
| C30 | N29 | C28 | N27 | 90.0° | 0.1° |
| C30 | N29 | C28 | H14 | 90.0° | 180.0° |
| N27 | C28 | N29 | H14 | 90.0° | 180.0° |
| H1 | C01 | C02 | H2 | 90.0° | 160.3° |
| H2 | C02 | C03 | H3 | 90.0° | 21.3° |
| H2 | C02 | O35 | H30 | 90.0° | 56.4° |
| H3 | C03 | C04 | H4 | 90.0° | 123.8° |
| H3 | C03 | O34 | H29 | 90.0° | 61.1° |
| H4 | C04 | C06 | H8 | 90.0° | 66.0° |
| H4 | C04 | C06 | H9 | 90.0° | 174.0° |
| H5 | C16 | C17 | H10 | 90.0° | 67.2° |
| H6 | C16 | C17 | H10 | 90.0° | 172.8° |
| H7 | C18 | C17 | H10 | 90.0° | 146.3° |
| H7 | C18 | C19 | H11 | 90.0° | 0.1° |
| H7 | C18 | O33 | H28 | 90.0° | 61.2° |
| H11 | C19 | C20 | H12 | 90.0° | 146.5° |
| H11 | C19 | O32 | H27 | 90.0° | 61.2° |
| H17 | C41 | C42 | H19 | 90.0° | 65.0° |
| H18 | C41 | C42 | H19 | 90.0° | 174.9° |
| H19 | C42 | N43 | H22 | 90.0° | 180.0° |
| H19 | C42 | N43 | H23 | 90.0° | 56.1° |
