A1CKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C01 | C09 | sing | 1.48Å | 1.49Å | |
| C02 | N03 | sing | 1.32Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.50Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | N08 | sing | 1.39Å | 1.41Å | |
| C07 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | N16 | sing | 1.37Å | 1.40Å | Aromatic |
| N08 | C10 | sing | 1.46Å | 1.46Å | |
| C09 | N23 | doub | 1.30Å | 1.31Å | Aromatic |
| C09 | S26 | sing | 1.76Å | 1.74Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | N16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| N16 | N20 | sing | 1.40Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.43Å | 1.45Å | |
| C19 | N20 | doub | 1.30Å | 1.35Å | Aromatic |
| C21 | N22 | trip | 1.14Å | 1.15Å | |
| N23 | N24 | sing | 1.26Å | 1.38Å | Aromatic |
| N24 | C25 | doub | 1.30Å | 1.31Å | Aromatic |
| C25 | S26 | sing | 1.76Å | 1.75Å | Aromatic |
| C25 | N27 | sing | 1.39Å | 1.37Å | |
| N27 | C28 | sing | 1.47Å | 1.48Å | |
| N27 | C32 | sing | 1.47Å | 1.48Å | |
| C28 | C29 | sing | 1.54Å | 1.55Å | |
| C29 | C30 | sing | 1.55Å | 1.54Å | |
| C29 | C34 | sing | 1.55Å | 1.55Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C30 | N35 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.54Å | 1.56Å | |
| C31 | C33 | sing | 1.55Å | 1.54Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| N35 | C36 | sing | 1.35Å | 1.34Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | O38 | doub | 1.21Å | 1.23Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 118.3° | 119.1° |
| C02 | C01 | C09 | 118.9° | 120.5° |
| C01 | C02 | N03 | 123.5° | 120.8° |
| C01 | C02 | H021 | 118.3° | 119.6° |
| C06 | C01 | C09 | 122.8° | 120.5° |
| C01 | C06 | C05 | 117.9° | 118.2° |
| C01 | C06 | N08 | 120.4° | 120.9° |
| C01 | C09 | N23 | 123.7° | 126.1° |
| C01 | C09 | S26 | 122.4° | 126.1° |
| C02 | N03 | C04 | 118.0° | 121.9° |
| N03 | C02 | H021 | 118.2° | 119.6° |
| N03 | C04 | C05 | 121.6° | 120.9° |
| N03 | C04 | C07 | 119.5° | 119.5° |
| C05 | C04 | C07 | 118.9° | 119.6° |
| C04 | C05 | C06 | 120.6° | 119.1° |
| C04 | C05 | H051 | 119.7° | 120.4° |
| C04 | C07 | C13 | 126.8° | 125.8° |
| C04 | C07 | N16 | 126.9° | 125.7° |
| C05 | C06 | N08 | 121.7° | 120.9° |
| C06 | C05 | H051 | 119.7° | 120.4° |
| C06 | N08 | C10 | 125.9° | 120.0° |
| C06 | N08 | H081 | 105.2° | 120.0° |
| C13 | C07 | N16 | 106.3° | 108.6° |
| C07 | C13 | C14 | 110.7° | 107.8° |
| C07 | C13 | H131 | 124.7° | 126.1° |
| C07 | N16 | C15 | 108.7° | 108.2° |
| C07 | N16 | N20 | 126.9° | 131.8° |
| N08 | C10 | C11 | 109.8° | 109.5° |
| N08 | C10 | C12 | 112.2° | 109.5° |
| N08 | C10 | H101 | 108.9° | 109.5° |
| C10 | N08 | H081 | 105.2° | 120.0° |
| N23 | C09 | S26 | 114.0° | 107.8° |
| C09 | N23 | N24 | 112.9° | 117.7° |
| C09 | S26 | C25 | 86.6° | 89.0° |
| C11 | C10 | C12 | 110.1° | 109.5° |
| C11 | C10 | H101 | 107.9° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C12 | C10 | H101 | 107.8° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.4° |
| C13 | C14 | C15 | 107.0° | 107.4° |
| C14 | C13 | H131 | 124.7° | 126.1° |
| C13 | C14 | H141 | 126.5° | 126.3° |
| C14 | C15 | N16 | 107.3° | 108.0° |
| C14 | C15 | C17 | 136.1° | 132.4° |
| C15 | C14 | H141 | 126.5° | 126.4° |
| N16 | C15 | C17 | 116.6° | 119.6° |
| C15 | N16 | N20 | 124.4° | 119.9° |
| C15 | C17 | C18 | 119.5° | 118.9° |
| C15 | C17 | H171 | 120.3° | 120.6° |
| N16 | N20 | C19 | 116.9° | 121.1° |
| C17 | C18 | C19 | 119.0° | 119.6° |
| C17 | C18 | C21 | 120.7° | 120.2° |
| C18 | C17 | H171 | 120.2° | 120.6° |
| C19 | C18 | C21 | 120.3° | 120.2° |
| C18 | C19 | N20 | 123.5° | 120.9° |
| C18 | C19 | H191 | 118.3° | 119.5° |
| C18 | C21 | N22 | 179.8° | 180.0° |
| N20 | C19 | H191 | 118.2° | 119.5° |
| N23 | N24 | C25 | 112.6° | 117.7° |
| N24 | C25 | S26 | 114.0° | 107.9° |
| N24 | C25 | N27 | 123.6° | 126.1° |
| S26 | C25 | N27 | 122.5° | 126.1° |
| C25 | N27 | C28 | 119.6° | 111.0° |
| C25 | N27 | C32 | 125.0° | 111.0° |
| C28 | N27 | C32 | 115.4° | 112.3° |
| N27 | C28 | C29 | 112.4° | 109.0° |
| N27 | C28 | H281 | 108.7° | 109.5° |
| N27 | C28 | H282 | 108.7° | 109.6° |
| N27 | C32 | C31 | 113.6° | 109.1° |
| N27 | C32 | H321 | 108.4° | 109.5° |
| N27 | C32 | H322 | 108.4° | 109.6° |
| C28 | C29 | C30 | 107.1° | 106.3° |
| C28 | C29 | C34 | 111.6° | 107.3° |
| C29 | C28 | H281 | 108.8° | 109.6° |
| C29 | C28 | H282 | 108.8° | 109.5° |
| C28 | C29 | H291 | 111.0° | 112.7° |
| C30 | C29 | C34 | 104.8° | 103.4° |
| C29 | C30 | C31 | 98.5° | 101.1° |
| C29 | C30 | N35 | 112.6° | 111.1° |
| C30 | C29 | H291 | 111.1° | 112.9° |
| C29 | C30 | H301 | 110.1° | 111.1° |
| C29 | C34 | C33 | 105.3° | 106.1° |
| C34 | C29 | H291 | 111.0° | 113.5° |
| C29 | C34 | H341 | 110.5° | 110.2° |
| C29 | C34 | H342 | 110.5° | 110.2° |
| C31 | C30 | N35 | 113.5° | 111.1° |
| C30 | C31 | C32 | 108.5° | 106.3° |
| C30 | C31 | C33 | 104.1° | 103.4° |
| C31 | C30 | H301 | 110.1° | 111.1° |
| C30 | C31 | H311 | 111.1° | 112.9° |
| C30 | N35 | C36 | 122.6° | 120.0° |
| N35 | C30 | H301 | 111.2° | 111.0° |
| C30 | N35 | H351 | 118.7° | 120.1° |
| C32 | C31 | C33 | 111.1° | 107.2° |
| C32 | C31 | H311 | 110.8° | 112.8° |
| C31 | C32 | H321 | 108.4° | 109.5° |
| C31 | C32 | H322 | 108.4° | 109.6° |
| C31 | C33 | C34 | 104.3° | 106.1° |
| C33 | C31 | H311 | 111.0° | 113.5° |
| C31 | C33 | H331 | 110.8° | 110.1° |
| C31 | C33 | H332 | 110.7° | 110.1° |
| C34 | C33 | H331 | 110.7° | 110.1° |
| C34 | C33 | H332 | 110.7° | 110.1° |
| C33 | C34 | H341 | 110.5° | 110.1° |
| C33 | C34 | H342 | 110.5° | 110.1° |
| N35 | C36 | C37 | 116.7° | 120.0° |
| N35 | C36 | O38 | 123.3° | 120.0° |
| C36 | N35 | H351 | 118.7° | 120.0° |
| C37 | C36 | O38 | 120.0° | 120.0° |
| C36 | C37 | H371 | 109.5° | 109.4° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H373 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.6° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.6° |
| H331 | C33 | H332 | 109.5° | 110.2° |
| H341 | C34 | H342 | 109.4° | 110.1° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C09 | 179.6° | 179.7° |
| C01 | C02 | N03 | H021 | 180.0° | 180.0° |
| C01 | C02 | N03 | C04 | 0.8° | 0.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C02 | C01 | C06 | N08 | 180.0° | 180.0° |
| C02 | C01 | C09 | N23 | 159.9° | 180.0° |
| C02 | C01 | C09 | S26 | 20.1° | 0.3° |
| C06 | C01 | C02 | N03 | 0.3° | 0.0° |
| C01 | C06 | C05 | C04 | 1.0° | 0.0° |
| C01 | C06 | C05 | N08 | 179.6° | 180.0° |
| C01 | C06 | N08 | C10 | 165.5° | 180.0° |
| C06 | C01 | C09 | N23 | 19.7° | 0.3° |
| C06 | C01 | C09 | S26 | 160.3° | 179.4° |
| C06 | C01 | C02 | H021 | 179.7° | 180.0° |
| C01 | C06 | C05 | H051 | 179.0° | 179.9° |
| C01 | C06 | N08 | H081 | 43.3° | 0.0° |
| C09 | C01 | C02 | N03 | 179.9° | 179.7° |
| C09 | C01 | C06 | C05 | 180.0° | 179.7° |
| C09 | C01 | C06 | N08 | 0.4° | 0.3° |
| C01 | C09 | N23 | S26 | 179.9° | 179.7° |
| C01 | C09 | N23 | N24 | 179.8° | 179.9° |
| C01 | C09 | S26 | C25 | 180.0° | 180.0° |
| C09 | C01 | C02 | H021 | 0.1° | 0.3° |
| C02 | N03 | C04 | C05 | 1.3° | 0.0° |
| C02 | N03 | C04 | C07 | 179.2° | 179.9° |
| N03 | C04 | C05 | C07 | 177.9° | 180.0° |
| N03 | C04 | C05 | C06 | 1.5° | 0.0° |
| N03 | C04 | C07 | C13 | 17.0° | 0.0° |
| N03 | C04 | C07 | N16 | 165.1° | 180.0° |
| C04 | N03 | C02 | H021 | 179.3° | 180.0° |
| N03 | C04 | C05 | H051 | 178.5° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | N08 | 179.4° | 180.0° |
| C05 | C04 | C07 | C13 | 161.0° | 180.0° |
| C05 | C04 | C07 | N16 | 16.9° | 0.0° |
| C07 | C04 | C05 | C06 | 179.3° | 180.0° |
| C04 | C07 | C13 | N16 | 178.3° | 180.0° |
| C04 | C07 | C13 | C14 | 178.5° | 180.0° |
| C04 | C07 | N16 | C15 | 178.6° | 179.7° |
| C04 | C07 | N16 | N20 | 1.2° | 0.2° |
| C04 | C07 | C13 | H131 | 1.5° | 0.2° |
| C07 | C04 | C05 | H051 | 0.6° | 0.0° |
| C05 | C06 | N08 | C10 | 14.8° | 0.0° |
| C05 | C06 | N08 | H081 | 137.0° | 180.0° |
| C06 | N08 | C10 | H081 | 122.2° | 179.9° |
| C06 | N08 | C10 | C11 | 159.9° | 85.0° |
| C06 | N08 | C10 | C12 | 77.2° | 155.0° |
| C06 | N08 | C10 | H101 | 42.0° | 35.0° |
| N08 | C06 | C05 | H051 | 0.6° | 0.1° |
| C07 | C13 | C14 | H131 | 180.0° | 179.8° |
| C07 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C07 | N16 | C15 | 0.4° | 0.3° |
| C13 | C07 | N16 | N20 | 179.5° | 179.8° |
| C07 | C13 | C14 | H141 | 179.9° | 179.7° |
| N16 | C07 | C13 | C14 | 0.3° | 0.0° |
| C07 | N16 | C15 | C14 | 0.3° | 0.4° |
| C07 | N16 | C15 | N20 | 179.9° | 179.6° |
| C07 | N16 | C15 | C17 | 179.8° | 180.0° |
| C07 | N16 | N20 | C19 | 179.8° | 179.5° |
| N16 | C07 | C13 | H131 | 179.7° | 179.8° |
| N08 | C10 | C11 | C12 | 124.1° | 120.0° |
| N08 | C10 | C11 | H101 | 118.5° | 120.0° |
| N08 | C10 | C12 | H101 | 119.9° | 120.0° |
| N08 | C10 | C11 | H111 | 180.0° | 180.0° |
| N08 | C10 | C11 | H112 | 60.0° | 60.0° |
| N08 | C10 | C11 | H113 | 60.0° | 60.0° |
| N08 | C10 | C12 | H121 | 180.0° | 60.0° |
| N08 | C10 | C12 | H122 | 60.0° | 60.0° |
| N08 | C10 | C12 | H123 | 60.0° | 180.0° |
| C09 | N23 | N24 | C25 | 0.3° | 0.0° |
| N23 | C09 | S26 | C25 | 0.1° | 0.3° |
| S26 | C09 | N23 | N24 | 0.1° | 0.2° |
| C09 | S26 | C25 | N24 | 0.3° | 0.3° |
| C09 | S26 | C25 | N27 | 179.6° | 180.0° |
| C11 | C10 | C12 | H101 | 117.5° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | H121 | 57.3° | 60.0° |
| C11 | C10 | C12 | H122 | 177.3° | 180.0° |
| C11 | C10 | C12 | H123 | 62.7° | 60.0° |
| C11 | C10 | N08 | H081 | 77.9° | 95.0° |
| C12 | C10 | C11 | H111 | 55.9° | 60.0° |
| C12 | C10 | C11 | H112 | 64.1° | 180.0° |
| C12 | C10 | C11 | H113 | 175.9° | 60.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C10 | N08 | H081 | 45.0° | 24.9° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 0.2° | 0.4° |
| C13 | C14 | C15 | C17 | 180.0° | 179.9° |
| C14 | C15 | N16 | C17 | 179.9° | 179.5° |
| C14 | C15 | N16 | N20 | 179.5° | 180.0° |
| C14 | C15 | C17 | C18 | 179.7° | 179.4° |
| C15 | C14 | C13 | H131 | 180.0° | 180.0° |
| C14 | C15 | C17 | H171 | 0.3° | 0.5° |
| N16 | C15 | C17 | C18 | 0.1° | 0.0° |
| C15 | N16 | N20 | C19 | 0.4° | 0.0° |
| N16 | C15 | C17 | H171 | 179.9° | 179.9° |
| N16 | C15 | C14 | H141 | 179.9° | 179.5° |
| C17 | C15 | N16 | N20 | 0.4° | 0.4° |
| C15 | C17 | C18 | H171 | 180.0° | 179.9° |
| C15 | C17 | C18 | C19 | 0.1° | 0.8° |
| C15 | C17 | C18 | C21 | 179.9° | 180.0° |
| C17 | C15 | C14 | H141 | 0.0° | 0.1° |
| N16 | N20 | C19 | C18 | 0.1° | 0.9° |
| N16 | N20 | C19 | H191 | 179.9° | 179.6° |
| C17 | C18 | C19 | C21 | 180.0° | 179.2° |
| C17 | C18 | C19 | N20 | 0.1° | 1.3° |
| C17 | C18 | C21 | N22 | 25.9° | 99.2° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C18 | C19 | N20 | H191 | 180.0° | 178.7° |
| C19 | C18 | C21 | N22 | 154.1° | 81.6° |
| C19 | C18 | C17 | H171 | 179.9° | 179.3° |
| C21 | C18 | C19 | N20 | 179.9° | 179.5° |
| C21 | C18 | C17 | H171 | 0.0° | 0.1° |
| C21 | C18 | C19 | H191 | 0.0° | 0.8° |
| N23 | N24 | C25 | S26 | 0.4° | 0.2° |
| N23 | N24 | C25 | N27 | 179.7° | 180.0° |
| N24 | C25 | S26 | N27 | 179.3° | 179.7° |
| N24 | C25 | N27 | C28 | 3.8° | 0.3° |
| N24 | C25 | N27 | C32 | 176.8° | 125.4° |
| S26 | C25 | N27 | C28 | 175.4° | 180.0° |
| S26 | C25 | N27 | C32 | 3.9° | 54.4° |
| C25 | N27 | C28 | C32 | 179.4° | 124.9° |
| C25 | N27 | C28 | C29 | 139.6° | 177.8° |
| C25 | N27 | C32 | C31 | 142.7° | 177.8° |
| C25 | N27 | C28 | H281 | 19.2° | 62.3° |
| C25 | N27 | C28 | H282 | 99.9° | 57.9° |
| C25 | N27 | C32 | H321 | 96.7° | 57.9° |
| C25 | N27 | C32 | H322 | 22.0° | 62.3° |
| N27 | C28 | C29 | H281 | 120.4° | 119.9° |
| N27 | C28 | C29 | H282 | 120.4° | 119.9° |
| N27 | C28 | C29 | C30 | 61.3° | 64.8° |
| N27 | C28 | C29 | C34 | 52.8° | 45.4° |
| C28 | N27 | C32 | C31 | 36.7° | 57.3° |
| N27 | C28 | H281 | H282 | 118.6° | 120.3° |
| N27 | C28 | C29 | H291 | 177.2° | 171.1° |
| C28 | N27 | C32 | H321 | 83.9° | 177.2° |
| C28 | N27 | C32 | H322 | 157.3° | 62.6° |
| C32 | N27 | C28 | C29 | 39.8° | 57.3° |
| N27 | C32 | C31 | C30 | 54.9° | 64.7° |
| N27 | C32 | C31 | H321 | 120.6° | 119.8° |
| N27 | C32 | C31 | H322 | 120.6° | 120.0° |
| N27 | C32 | C31 | C33 | 59.0° | 45.4° |
| C32 | N27 | C28 | H281 | 160.2° | 62.6° |
| C32 | N27 | C28 | H282 | 80.6° | 177.2° |
| N27 | C32 | C31 | H311 | 177.1° | 171.0° |
| N27 | C32 | H321 | H322 | 118.1° | 120.3° |
| C28 | C29 | C30 | C34 | 118.7° | 112.8° |
| C28 | C29 | C30 | H291 | 121.4° | 124.1° |
| C28 | C29 | C34 | H291 | 124.4° | 125.2° |
| C28 | C29 | C30 | C31 | 75.0° | 70.5° |
| C28 | C29 | C30 | N35 | 165.0° | 171.6° |
| C28 | C29 | C34 | C33 | 90.8° | 85.7° |
| C29 | C28 | H281 | H282 | 118.7° | 120.2° |
| C28 | C29 | C30 | H301 | 40.2° | 47.5° |
| C28 | C29 | C34 | H341 | 28.6° | 33.5° |
| C28 | C29 | C34 | H342 | 149.9° | 155.1° |
| C30 | C29 | C34 | H291 | 120.1° | 122.7° |
| C29 | C30 | C31 | N35 | 119.3° | 117.9° |
| C29 | C30 | C31 | H301 | 115.2° | 118.0° |
| C29 | C30 | N35 | H301 | 124.2° | 124.2° |
| C29 | C30 | C31 | C32 | 71.8° | 70.4° |
| C29 | C30 | C31 | C33 | 46.6° | 42.3° |
| C30 | C29 | C34 | C33 | 24.8° | 26.5° |
| C29 | C30 | N35 | C36 | 80.1° | 155.1° |
| C30 | C29 | C28 | H281 | 178.3° | 55.1° |
| C30 | C29 | C28 | H282 | 59.1° | 175.3° |
| C29 | C30 | C31 | H311 | 166.1° | 165.4° |
| C30 | C29 | C34 | H341 | 144.1° | 145.6° |
| C30 | C29 | C34 | H342 | 94.6° | 92.7° |
| C29 | C30 | N35 | H351 | 99.9° | 25.0° |
| C34 | C29 | C30 | C31 | 43.6° | 42.3° |
| C34 | C29 | C30 | N35 | 76.4° | 75.6° |
| C29 | C34 | C33 | C31 | 4.5° | 0.0° |
| C29 | C34 | C33 | H341 | 119.3° | 119.2° |
| C29 | C34 | C33 | H342 | 119.4° | 119.2° |
| C34 | C29 | C28 | H281 | 67.6° | 165.3° |
| C34 | C29 | C28 | H282 | 173.2° | 74.5° |
| C34 | C29 | C30 | H301 | 158.8° | 160.3° |
| C29 | C34 | C33 | H331 | 114.6° | 119.2° |
| C29 | C34 | C33 | H332 | 123.7° | 119.1° |
| C29 | C34 | H341 | H342 | 121.9° | 121.7° |
| C31 | C30 | N35 | H301 | 124.9° | 124.2° |
| C30 | C31 | C32 | C33 | 113.9° | 110.1° |
| C30 | C31 | C32 | H311 | 122.2° | 124.2° |
| C30 | C31 | C33 | H311 | 119.6° | 122.7° |
| C30 | C31 | C33 | C34 | 32.3° | 26.4° |
| C31 | C30 | N35 | C36 | 169.0° | 93.3° |
| C31 | C30 | C29 | H291 | 163.6° | 165.4° |
| C30 | C31 | C32 | H321 | 65.7° | 175.4° |
| C30 | C31 | C32 | H322 | 175.5° | 55.2° |
| C30 | C31 | C33 | H331 | 86.8° | 92.7° |
| C30 | C31 | C33 | H332 | 151.5° | 145.6° |
| C31 | C30 | N35 | H351 | 11.0° | 86.7° |
| N35 | C30 | C31 | C32 | 168.9° | 171.7° |
| N35 | C30 | C31 | C33 | 72.7° | 75.6° |
| C30 | N35 | C36 | H351 | 180.0° | 180.0° |
| C30 | N35 | C36 | C37 | 179.8° | 180.0° |
| C30 | N35 | C36 | O38 | 0.4° | 0.0° |
| N35 | C30 | C29 | H291 | 43.6° | 47.5° |
| N35 | C30 | C31 | H311 | 46.8° | 47.5° |
| C32 | C31 | C33 | H311 | 123.8° | 125.2° |
| C32 | C31 | C33 | C34 | 84.3° | 85.7° |
| C32 | C31 | C30 | H301 | 43.4° | 47.6° |
| C31 | C32 | H321 | H322 | 118.1° | 120.2° |
| C32 | C31 | C33 | H331 | 156.5° | 155.2° |
| C32 | C31 | C33 | H332 | 34.9° | 33.5° |
| C31 | C33 | C34 | H331 | 119.2° | 119.2° |
| C31 | C33 | C34 | H332 | 119.2° | 119.2° |
| C33 | C31 | C30 | H301 | 161.9° | 160.3° |
| C33 | C31 | C32 | H321 | 179.6° | 74.4° |
| C33 | C31 | C32 | H322 | 61.6° | 165.4° |
| C31 | C33 | H331 | H332 | 122.4° | 121.7° |
| C31 | C33 | C34 | H341 | 114.8° | 119.2° |
| C31 | C33 | C34 | H342 | 123.9° | 119.2° |
| C33 | C34 | C29 | H291 | 144.8° | 149.1° |
| C34 | C33 | C31 | H311 | 151.9° | 149.1° |
| C34 | C33 | H331 | H332 | 122.4° | 121.7° |
| C33 | C34 | H341 | H342 | 121.9° | 121.6° |
| N35 | C36 | C37 | O38 | 179.8° | 179.9° |
| C36 | N35 | C30 | H301 | 44.1° | 30.9° |
| N35 | C36 | C37 | H371 | 179.8° | 90.0° |
| N35 | C36 | C37 | H372 | 59.8° | 29.9° |
| N35 | C36 | C37 | H373 | 60.2° | 150.0° |
| C36 | C37 | H371 | H372 | 120.0° | 119.9° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| C37 | C36 | N35 | H351 | 0.2° | 0.1° |
| O38 | C36 | C37 | H371 | 0.0° | 90.1° |
| O38 | C36 | C37 | H372 | 120.0° | 150.0° |
| O38 | C36 | C37 | H373 | 120.0° | 29.9° |
| O38 | C36 | N35 | H351 | 179.6° | 180.0° |
| H101 | C10 | C11 | H111 | 61.5° | 60.0° |
| H101 | C10 | C11 | H112 | 178.5° | 60.0° |
| H101 | C10 | C11 | H113 | 58.5° | 180.0° |
| H101 | C10 | C12 | H121 | 60.1° | 180.0° |
| H101 | C10 | C12 | H122 | 59.9° | 60.0° |
| H101 | C10 | C12 | H123 | 179.8° | 60.0° |
| H101 | C10 | N08 | H081 | 164.3° | 144.9° |
| H131 | C13 | C14 | H141 | 0.1° | 0.1° |
| H281 | C28 | C29 | H291 | 56.8° | 69.1° |
| H282 | C28 | C29 | H291 | 62.4° | 51.1° |
| H111 | C11 | H112 | H113 | 119.9° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 81.2° | 76.6° |
| H291 | C29 | C34 | H341 | 95.8° | 91.7° |
| H291 | C29 | C34 | H342 | 25.5° | 30.0° |
| H301 | C30 | C31 | H311 | 78.6° | 76.6° |
| H301 | C30 | N35 | H351 | 135.9° | 149.2° |
| H311 | C31 | C32 | H321 | 56.5° | 51.2° |
| H311 | C31 | C32 | H322 | 62.2° | 69.0° |
| H311 | C31 | C33 | H331 | 32.7° | 30.0° |
| H311 | C31 | C33 | H332 | 88.9° | 91.7° |
| H331 | C33 | C34 | H341 | 126.0° | 121.7° |
| H331 | C33 | C34 | H342 | 4.7° | 0.0° |
| H332 | C33 | C34 | H341 | 4.4° | 0.0° |
| H332 | C33 | C34 | H342 | 116.9° | 121.7° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
