3B2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| O37 | P34 | doub | 1.48Å | 1.51Å | |
| O33 | P34 | sing | 1.61Å | 1.62Å | |
| O33 | C32 | sing | 1.43Å | 1.42Å | |
| P34 | O36 | sing | 1.61Å | 1.52Å | |
| P34 | O35 | sing | 1.61Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | C27 | sing | 1.53Å | 1.55Å | |
| O26 | C25 | doub | 1.21Å | 1.22Å | |
| S12 | C13 | sing | 1.81Å | 1.80Å | |
| S12 | C11 | sing | 1.81Å | 1.81Å | |
| C27 | C25 | sing | 1.51Å | 1.53Å | |
| C27 | O28 | sing | 1.43Å | 1.38Å | |
| C25 | N24 | sing | 1.35Å | 1.46Å | |
| O21 | C20 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C20 | N19 | sing | 1.35Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| N24 | C23 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| N16 | C14 | sing | 1.35Å | 1.45Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C14 | O15 | doub | 1.21Å | 1.21Å | |
| N19 | C18 | sing | 1.46Å | 1.43Å | |
| C10 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | N38 | doub | 1.30Å | 1.34Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| N40 | O41 | sing | 1.21Å | 1.38Å | Aromatic |
| N40 | C04 | doub | 1.30Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| O41 | C02 | sing | 1.34Å | 1.35Å | Aromatic |
| N38 | O39 | sing | 1.21Å | 1.39Å | Aromatic |
| C08 | O39 | sing | 1.34Å | 1.36Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.56Å | |
| C07 | S06 | sing | 1.81Å | 1.80Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C05 | S06 | sing | 1.81Å | 1.79Å | |
| C04 | C03 | sing | 1.41Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.35Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.49Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| N19 | H21 | sing | 0.97Å | 1.00Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| O28 | H26 | sing | 0.97Å | 0.95Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C32 | 111.4° | 109.4° |
| C30 | C29 | C31 | 108.2° | 109.4° |
| C30 | C29 | C27 | 108.8° | 109.5° |
| C29 | C30 | H27 | 109.5° | 109.4° |
| C29 | C30 | H28 | 109.4° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| O37 | P34 | O33 | 108.5° | 109.5° |
| O37 | P34 | O36 | 109.5° | 109.5° |
| O37 | P34 | O35 | 108.9° | 109.5° |
| P34 | O33 | C32 | 117.8° | 123.0° |
| O33 | P34 | O36 | 110.0° | 109.5° |
| O33 | P34 | O35 | 111.2° | 109.4° |
| O33 | C32 | C29 | 111.2° | 109.5° |
| O33 | C32 | H33 | 109.0° | 109.5° |
| O33 | C32 | H34 | 109.0° | 109.5° |
| O36 | P34 | O35 | 108.6° | 109.5° |
| P34 | O36 | H36 | 109.5° | 114.0° |
| P34 | O35 | H35 | 109.5° | 114.0° |
| C32 | C29 | C31 | 108.7° | 109.5° |
| C32 | C29 | C27 | 107.3° | 109.5° |
| C29 | C32 | H33 | 109.1° | 109.4° |
| C29 | C32 | H34 | 109.0° | 109.5° |
| C31 | C29 | C27 | 112.5° | 109.5° |
| C29 | C31 | H30 | 109.5° | 109.5° |
| C29 | C31 | H31 | 109.5° | 109.5° |
| C29 | C31 | H32 | 109.5° | 109.4° |
| C29 | C27 | C25 | 112.4° | 109.5° |
| C29 | C27 | O28 | 111.6° | 109.4° |
| C29 | C27 | H25 | 107.3° | 109.5° |
| O26 | C25 | C27 | 118.6° | 120.0° |
| O26 | C25 | N24 | 120.9° | 120.0° |
| C13 | S12 | C11 | 109.4° | 103.0° |
| S12 | C13 | C14 | 111.8° | 109.4° |
| S12 | C13 | H1 | 108.9° | 109.5° |
| S12 | C13 | H2 | 108.9° | 109.5° |
| S12 | C11 | C10 | 116.2° | 109.5° |
| S12 | C11 | H16 | 107.8° | 109.5° |
| S12 | C11 | H17 | 107.8° | 109.4° |
| C25 | C27 | O28 | 108.1° | 109.5° |
| C27 | C25 | N24 | 120.5° | 120.0° |
| C25 | C27 | H25 | 107.6° | 109.4° |
| O28 | C27 | H25 | 109.7° | 109.5° |
| C27 | O28 | H26 | 109.5° | 114.0° |
| C25 | N24 | C23 | 119.7° | 120.0° |
| C25 | N24 | H24 | 120.2° | 120.0° |
| O21 | C20 | C22 | 117.6° | 120.0° |
| O21 | C20 | N19 | 115.2° | 120.0° |
| C13 | C14 | N16 | 121.0° | 120.0° |
| C13 | C14 | O15 | 117.5° | 120.0° |
| C14 | C13 | H1 | 108.9° | 109.5° |
| C14 | C13 | H2 | 108.9° | 109.4° |
| C22 | C20 | N19 | 127.2° | 120.0° |
| C20 | C22 | C23 | 108.8° | 109.5° |
| C20 | C22 | H5 | 109.6° | 109.5° |
| C20 | C22 | H6 | 109.6° | 109.5° |
| C20 | N19 | C18 | 123.0° | 120.0° |
| C20 | N19 | H21 | 118.5° | 120.0° |
| C11 | C10 | C09 | 126.2° | 126.8° |
| C11 | C10 | N38 | 127.1° | 126.8° |
| C10 | C11 | H16 | 107.8° | 109.5° |
| C10 | C11 | H17 | 107.7° | 109.5° |
| N24 | C23 | C22 | 113.7° | 109.5° |
| N24 | C23 | H22 | 108.4° | 109.5° |
| N24 | C23 | H23 | 108.4° | 109.4° |
| C23 | N24 | H24 | 120.1° | 120.0° |
| C23 | C22 | H5 | 109.6° | 109.5° |
| C23 | C22 | H6 | 109.6° | 109.5° |
| C22 | C23 | H22 | 108.4° | 109.5° |
| C22 | C23 | H23 | 108.4° | 109.5° |
| C14 | N16 | C17 | 124.9° | 120.0° |
| N16 | C14 | O15 | 121.5° | 120.0° |
| C14 | N16 | H18 | 117.6° | 120.0° |
| N16 | C17 | C18 | 117.2° | 109.5° |
| N16 | C17 | H3 | 107.5° | 109.5° |
| N16 | C17 | H4 | 107.5° | 109.5° |
| C17 | N16 | H18 | 117.5° | 120.0° |
| N19 | C18 | C17 | 107.6° | 109.5° |
| N19 | C18 | H19 | 110.0° | 109.5° |
| N19 | C18 | H20 | 110.0° | 109.4° |
| C18 | N19 | H21 | 118.5° | 120.0° |
| C09 | C10 | N38 | 106.7° | 106.4° |
| C10 | C09 | C08 | 108.7° | 104.0° |
| C10 | C09 | H15 | 125.6° | 128.0° |
| C10 | N38 | O39 | 109.4° | 111.6° |
| C09 | C08 | O39 | 106.4° | 106.4° |
| C09 | C08 | C07 | 127.0° | 126.7° |
| C08 | C09 | H15 | 125.6° | 128.1° |
| O41 | N40 | C04 | 108.8° | 111.6° |
| N40 | O41 | C02 | 109.0° | 111.6° |
| N40 | C04 | C05 | 122.6° | 126.8° |
| N40 | C04 | C03 | 107.8° | 106.4° |
| C18 | C17 | H3 | 107.5° | 109.5° |
| C18 | C17 | H4 | 107.5° | 109.5° |
| C17 | C18 | H19 | 110.0° | 109.5° |
| C17 | C18 | H20 | 109.9° | 109.5° |
| O41 | C02 | C03 | 106.8° | 106.5° |
| O41 | C02 | C01 | 124.8° | 126.8° |
| N38 | O39 | C08 | 108.8° | 111.6° |
| O39 | C08 | C07 | 126.6° | 126.8° |
| C08 | C07 | S06 | 107.6° | 109.5° |
| C08 | C07 | H13 | 110.0° | 109.5° |
| C08 | C07 | H14 | 110.0° | 109.4° |
| C07 | S06 | C05 | 115.0° | 103.0° |
| S06 | C07 | H13 | 110.0° | 109.5° |
| S06 | C07 | H14 | 110.0° | 109.4° |
| C04 | C05 | S06 | 114.7° | 109.5° |
| C05 | C04 | C03 | 129.6° | 126.8° |
| C04 | C05 | H11 | 108.2° | 109.5° |
| C04 | C05 | H12 | 108.2° | 109.5° |
| S06 | C05 | H11 | 108.2° | 109.5° |
| S06 | C05 | H12 | 108.2° | 109.5° |
| C04 | C03 | C02 | 107.7° | 104.0° |
| C04 | C03 | H10 | 126.2° | 128.0° |
| C03 | C02 | C01 | 128.4° | 126.8° |
| C02 | C03 | H10 | 126.2° | 128.0° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.4° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H11 | C05 | H12 | 109.4° | 109.5° |
| H13 | C07 | H14 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C32 | O33 | 30.1° | 60.0° |
| C30 | C29 | C32 | C31 | 119.1° | 120.0° |
| C30 | C29 | C32 | C27 | 119.0° | 120.0° |
| C30 | C29 | C31 | C27 | 120.3° | 120.0° |
| C30 | C29 | C27 | C25 | 63.7° | 66.0° |
| C30 | C29 | C27 | O28 | 174.7° | 174.0° |
| C30 | C29 | C27 | H25 | 54.4° | 54.0° |
| C29 | C30 | H27 | H28 | 120.0° | 120.0° |
| C29 | C30 | H27 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C30 | C29 | C31 | H30 | 180.0° | 60.0° |
| C30 | C29 | C31 | H31 | 60.0° | 60.0° |
| C30 | C29 | C31 | H32 | 60.0° | 180.0° |
| C30 | C29 | C32 | H33 | 150.3° | 180.0° |
| C30 | C29 | C32 | H34 | 90.2° | 60.1° |
| O37 | P34 | O33 | O36 | 119.8° | 120.0° |
| O37 | P34 | O33 | O35 | 119.7° | 120.0° |
| O37 | P34 | O33 | C32 | 160.5° | 55.0° |
| O37 | P34 | O36 | O35 | 118.9° | 120.0° |
| O37 | P34 | O35 | H35 | 0.0° | 180.0° |
| O37 | P34 | O36 | H36 | 0.0° | 60.0° |
| O33 | P34 | O36 | O35 | 122.0° | 120.0° |
| P34 | O33 | C32 | C29 | 133.5° | 179.9° |
| P34 | O33 | C32 | H33 | 13.2° | 60.0° |
| P34 | O33 | C32 | H34 | 106.3° | 60.0° |
| O33 | P34 | O35 | H35 | 119.5° | 60.0° |
| O33 | P34 | O36 | H36 | 119.1° | 180.0° |
| C32 | O33 | P34 | O36 | 79.7° | 175.0° |
| C32 | O33 | P34 | O35 | 40.7° | 65.0° |
| O33 | C32 | C29 | H33 | 120.2° | 120.0° |
| O33 | C32 | C29 | H34 | 120.2° | 120.1° |
| O33 | C32 | C29 | C31 | 149.2° | 60.0° |
| O33 | C32 | C29 | C27 | 88.9° | 180.0° |
| O33 | C32 | H33 | H34 | 119.2° | 120.0° |
| O36 | P34 | O35 | H35 | 119.2° | 59.9° |
| O35 | P34 | O36 | H36 | 118.9° | 60.0° |
| C32 | C29 | C31 | C27 | 118.7° | 120.0° |
| C32 | C29 | C27 | C25 | 175.7° | 174.1° |
| C32 | C29 | C27 | O28 | 54.1° | 54.1° |
| C32 | C29 | C27 | H25 | 66.2° | 65.9° |
| C32 | C29 | C30 | H27 | 180.0° | 64.4° |
| C32 | C29 | C30 | H28 | 60.0° | 175.6° |
| C32 | C29 | C30 | H29 | 60.0° | 55.6° |
| C32 | C29 | C31 | H30 | 58.9° | 60.0° |
| C32 | C29 | C31 | H31 | 61.1° | 180.0° |
| C32 | C29 | C31 | H32 | 178.9° | 60.1° |
| C29 | C32 | H33 | H34 | 119.2° | 120.0° |
| C31 | C29 | C27 | C25 | 56.2° | 54.0° |
| C31 | C29 | C27 | O28 | 65.5° | 66.0° |
| C31 | C29 | C27 | H25 | 174.3° | 174.0° |
| C31 | C29 | C30 | H27 | 60.5° | 175.6° |
| C31 | C29 | C30 | H28 | 59.5° | 55.6° |
| C31 | C29 | C30 | H29 | 179.5° | 64.4° |
| C29 | C31 | H30 | H31 | 120.0° | 120.0° |
| C29 | C31 | H30 | H32 | 120.0° | 120.0° |
| C29 | C31 | H31 | H32 | 120.0° | 119.9° |
| C31 | C29 | C32 | H33 | 90.5° | 60.1° |
| C31 | C29 | C32 | H34 | 29.0° | 180.0° |
| C29 | C27 | C25 | O26 | 82.7° | 71.8° |
| C29 | C27 | C25 | O28 | 123.6° | 120.0° |
| C29 | C27 | C25 | H25 | 118.0° | 120.0° |
| C29 | C27 | O28 | H25 | 118.8° | 120.0° |
| C29 | C27 | C25 | N24 | 98.0° | 108.2° |
| C29 | C27 | O28 | H26 | 180.0° | 60.0° |
| C27 | C29 | C30 | H27 | 61.9° | 55.6° |
| C27 | C29 | C30 | H28 | 178.1° | 64.4° |
| C27 | C29 | C30 | H29 | 58.0° | 175.6° |
| C27 | C29 | C31 | H30 | 59.7° | 180.0° |
| C27 | C29 | C31 | H31 | 179.7° | 60.0° |
| C27 | C29 | C31 | H32 | 60.3° | 60.0° |
| C27 | C29 | C32 | H33 | 31.3° | 60.0° |
| C27 | C29 | C32 | H34 | 150.8° | 59.9° |
| O26 | C25 | C27 | N24 | 179.3° | 180.0° |
| O26 | C25 | C27 | O28 | 153.7° | 168.2° |
| O26 | C25 | N24 | C23 | 0.3° | 5.1° |
| O26 | C25 | N24 | H24 | 179.7° | 174.8° |
| O26 | C25 | C27 | H25 | 35.3° | 48.2° |
| S12 | C13 | C14 | H1 | 120.3° | 120.0° |
| S12 | C13 | C14 | H2 | 120.4° | 120.0° |
| C13 | S12 | C11 | C10 | 56.5° | 180.0° |
| S12 | C13 | C14 | N16 | 12.0° | 180.0° |
| S12 | C13 | C14 | O15 | 167.0° | 0.0° |
| S12 | C13 | H1 | H2 | 119.0° | 120.1° |
| C13 | S12 | C11 | H16 | 177.5° | 59.9° |
| C13 | S12 | C11 | H17 | 64.5° | 60.0° |
| C11 | S12 | C13 | C14 | 77.9° | 180.0° |
| S12 | C11 | C10 | H16 | 121.0° | 120.1° |
| S12 | C11 | C10 | H17 | 121.0° | 119.9° |
| S12 | C11 | C10 | C09 | 130.3° | 89.9° |
| S12 | C11 | C10 | N38 | 52.2° | 89.7° |
| C11 | S12 | C13 | H1 | 161.7° | 60.0° |
| C11 | S12 | C13 | H2 | 42.4° | 60.1° |
| S12 | C11 | H16 | H17 | 116.9° | 119.9° |
| C25 | C27 | O28 | H25 | 117.0° | 120.0° |
| C27 | C25 | N24 | C23 | 179.0° | 174.9° |
| C27 | C25 | N24 | H24 | 1.0° | 5.2° |
| C25 | C27 | O28 | H26 | 55.9° | 59.9° |
| O28 | C27 | C25 | N24 | 25.6° | 11.7° |
| C25 | N24 | C23 | H24 | 180.0° | 179.9° |
| C25 | N24 | C23 | C22 | 118.1° | 180.0° |
| C25 | N24 | C23 | H22 | 2.5° | 60.0° |
| C25 | N24 | C23 | H23 | 121.3° | 60.0° |
| N24 | C25 | C27 | H25 | 144.0° | 131.8° |
| O21 | C20 | C22 | N19 | 179.4° | 180.0° |
| O21 | C20 | C22 | C23 | 40.7° | 0.0° |
| O21 | C20 | N19 | C18 | 179.3° | 0.0° |
| O21 | C20 | C22 | H5 | 79.2° | 120.1° |
| O21 | C20 | C22 | H6 | 160.6° | 120.0° |
| O21 | C20 | N19 | H21 | 0.8° | 180.0° |
| C13 | C14 | N16 | O15 | 179.0° | 180.0° |
| C13 | C14 | N16 | C17 | 178.8° | 180.0° |
| C14 | C13 | H1 | H2 | 118.9° | 120.0° |
| C13 | C14 | N16 | H18 | 1.2° | 0.1° |
| C20 | C22 | C23 | N24 | 170.4° | 180.0° |
| C20 | C22 | C23 | H5 | 119.9° | 120.1° |
| C20 | C22 | C23 | H6 | 119.9° | 120.0° |
| C22 | C20 | N19 | C18 | 1.3° | 180.0° |
| C20 | C22 | H5 | H6 | 120.3° | 120.0° |
| C22 | C20 | N19 | H21 | 178.7° | 0.0° |
| C20 | C22 | C23 | H22 | 49.8° | 60.0° |
| C20 | C22 | C23 | H23 | 69.0° | 60.0° |
| N19 | C20 | C22 | C23 | 138.8° | 180.0° |
| C20 | N19 | C18 | H21 | 180.0° | 179.9° |
| C20 | N19 | C18 | C17 | 134.6° | 180.0° |
| N19 | C20 | C22 | H5 | 101.4° | 60.0° |
| N19 | C20 | C22 | H6 | 18.8° | 60.0° |
| C20 | N19 | C18 | H19 | 105.6° | 60.0° |
| C20 | N19 | C18 | H20 | 14.9° | 59.9° |
| C11 | C10 | C09 | N38 | 177.9° | 179.7° |
| C11 | C10 | C09 | C08 | 178.9° | 179.7° |
| C11 | C10 | N38 | O39 | 179.1° | 179.7° |
| C11 | C10 | C09 | H15 | 1.1° | 0.3° |
| C10 | C11 | H16 | H17 | 116.9° | 120.0° |
| N24 | C23 | C22 | H22 | 120.6° | 120.0° |
| N24 | C23 | C22 | H23 | 120.6° | 120.0° |
| N24 | C23 | C22 | H5 | 50.5° | 60.0° |
| N24 | C23 | C22 | H6 | 69.7° | 60.0° |
| N24 | C23 | H22 | H23 | 118.1° | 120.0° |
| C23 | C22 | H5 | H6 | 120.3° | 120.0° |
| C22 | C23 | H22 | H23 | 118.1° | 120.0° |
| C22 | C23 | N24 | H24 | 61.9° | 0.1° |
| C14 | N16 | C17 | H18 | 180.0° | 179.9° |
| C14 | N16 | C17 | C18 | 35.6° | 180.0° |
| N16 | C14 | C13 | H1 | 108.4° | 60.0° |
| N16 | C14 | C13 | H2 | 132.3° | 60.0° |
| C14 | N16 | C17 | H3 | 85.5° | 60.0° |
| C14 | N16 | C17 | H4 | 156.7° | 60.0° |
| C17 | N16 | C14 | O15 | 0.2° | 0.1° |
| N16 | C17 | C18 | N19 | 102.8° | 180.0° |
| N16 | C17 | C18 | H3 | 121.1° | 120.0° |
| N16 | C17 | C18 | H4 | 121.1° | 120.0° |
| N16 | C17 | H3 | H4 | 116.5° | 120.0° |
| N16 | C17 | C18 | H19 | 137.5° | 60.0° |
| N16 | C17 | C18 | H20 | 16.9° | 60.0° |
| O15 | C14 | C13 | H1 | 72.6° | 120.0° |
| O15 | C14 | C13 | H2 | 46.7° | 120.1° |
| O15 | C14 | N16 | H18 | 179.8° | 180.0° |
| N19 | C18 | C17 | H19 | 119.7° | 120.0° |
| N19 | C18 | C17 | H20 | 119.7° | 120.0° |
| N19 | C18 | C17 | H3 | 136.1° | 60.0° |
| N19 | C18 | C17 | H4 | 18.3° | 60.0° |
| N19 | C18 | H19 | H20 | 120.9° | 119.9° |
| C10 | C09 | C08 | H15 | 180.0° | 180.0° |
| C09 | C10 | N38 | O39 | 1.2° | 0.0° |
| C10 | C09 | C08 | O39 | 0.3° | 0.0° |
| C10 | C09 | C08 | C07 | 179.5° | 180.0° |
| C09 | C10 | C11 | H16 | 9.3° | 150.0° |
| C09 | C10 | C11 | H17 | 108.7° | 30.0° |
| N38 | C10 | C09 | C08 | 0.9° | 0.0° |
| C10 | N38 | O39 | C08 | 1.0° | 0.0° |
| N38 | C10 | C09 | H15 | 179.1° | 180.0° |
| N38 | C10 | C11 | H16 | 173.1° | 30.4° |
| N38 | C10 | C11 | H17 | 68.8° | 150.4° |
| C09 | C08 | O39 | N38 | 0.4° | 0.0° |
| C09 | C08 | O39 | C07 | 179.2° | 180.0° |
| C09 | C08 | C07 | S06 | 63.0° | 90.0° |
| C09 | C08 | C07 | H13 | 177.2° | 30.0° |
| C09 | C08 | C07 | H14 | 56.7° | 150.0° |
| O41 | N40 | C04 | C05 | 178.8° | 179.7° |
| O41 | N40 | C04 | C03 | 0.7° | 0.2° |
| N40 | O41 | C02 | C03 | 0.0° | 0.4° |
| N40 | O41 | C02 | C01 | 179.9° | 179.8° |
| C04 | N40 | O41 | C02 | 0.5° | 0.4° |
| N40 | C04 | C05 | C03 | 177.6° | 179.9° |
| N40 | C04 | C05 | S06 | 117.7° | 89.9° |
| N40 | C04 | C03 | C02 | 0.8° | 0.0° |
| N40 | C04 | C03 | H10 | 179.2° | 180.0° |
| N40 | C04 | C05 | H11 | 121.5° | 30.1° |
| N40 | C04 | C05 | H12 | 3.1° | 150.1° |
| C18 | C17 | H3 | H4 | 116.5° | 120.0° |
| C18 | C17 | N16 | H18 | 144.4° | 0.1° |
| C17 | C18 | H19 | H20 | 120.9° | 120.0° |
| C17 | C18 | N19 | H21 | 45.4° | 0.0° |
| O41 | C02 | C03 | C04 | 0.5° | 0.3° |
| O41 | C02 | C03 | C01 | 180.0° | 179.7° |
| O41 | C02 | C01 | H7 | 0.0° | 90.3° |
| O41 | C02 | C01 | H8 | 120.0° | 29.7° |
| O41 | C02 | C01 | H9 | 120.0° | 149.7° |
| O41 | C02 | C03 | H10 | 179.5° | 179.8° |
| N38 | O39 | C08 | C07 | 178.8° | 180.0° |
| O39 | C08 | C07 | S06 | 116.0° | 90.0° |
| O39 | C08 | C07 | H13 | 3.7° | 149.9° |
| O39 | C08 | C07 | H14 | 124.2° | 29.9° |
| O39 | C08 | C09 | H15 | 179.7° | 180.0° |
| C08 | C07 | S06 | H13 | 119.7° | 120.1° |
| C08 | C07 | S06 | H14 | 119.7° | 119.9° |
| C08 | C07 | S06 | C05 | 78.8° | 180.0° |
| C08 | C07 | H13 | H14 | 120.9° | 120.0° |
| C07 | C08 | C09 | H15 | 0.5° | 0.0° |
| C07 | S06 | C05 | C04 | 111.0° | 180.0° |
| C07 | S06 | C05 | H11 | 128.2° | 60.0° |
| C07 | S06 | C05 | H12 | 9.8° | 60.0° |
| S06 | C07 | H13 | H14 | 120.9° | 120.0° |
| C04 | C05 | S06 | H11 | 120.8° | 120.0° |
| C04 | C05 | S06 | H12 | 120.8° | 120.0° |
| C05 | C04 | C03 | C02 | 178.7° | 180.0° |
| C05 | C04 | C03 | H10 | 1.3° | 0.0° |
| C04 | C05 | H11 | H12 | 117.6° | 120.0° |
| S06 | C05 | C04 | C03 | 64.7° | 90.0° |
| S06 | C05 | H11 | H12 | 117.6° | 120.0° |
| C05 | S06 | C07 | H13 | 161.5° | 60.0° |
| C05 | S06 | C07 | H14 | 40.9° | 60.0° |
| C04 | C03 | C02 | H10 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 179.5° | 180.0° |
| C03 | C04 | C05 | H11 | 56.1° | 150.0° |
| C03 | C04 | C05 | H12 | 174.5° | 30.0° |
| C03 | C02 | C01 | H7 | 180.0° | 90.0° |
| C03 | C02 | C01 | H8 | 60.0° | 150.0° |
| C03 | C02 | C01 | H9 | 60.0° | 30.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 0.5° | 0.0° |
| H3 | C17 | N16 | H18 | 94.5° | 119.9° |
| H3 | C17 | C18 | H19 | 16.3° | 180.0° |
| H3 | C17 | C18 | H20 | 104.2° | 60.0° |
| H4 | C17 | N16 | H18 | 23.3° | 120.0° |
| H4 | C17 | C18 | H19 | 101.4° | 60.1° |
| H4 | C17 | C18 | H20 | 138.0° | 180.0° |
| H5 | C22 | C23 | H22 | 70.1° | 180.0° |
| H5 | C22 | C23 | H23 | 171.2° | 60.0° |
| H6 | C22 | C23 | H22 | 169.7° | 60.0° |
| H6 | C22 | C23 | H23 | 51.0° | 180.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H19 | C18 | N19 | H21 | 74.4° | 120.1° |
| H20 | C18 | N19 | H21 | 165.1° | 120.0° |
| H22 | C23 | N24 | H24 | 177.5° | 119.9° |
| H23 | C23 | N24 | H24 | 58.7° | 120.1° |
| H25 | C27 | O28 | H26 | 61.1° | 179.9° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
