A1CKQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | C22 | sing | 1.48Å | 1.50Å | |
| C02 | N03 | sing | 1.32Å | 1.36Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C11 | sing | 1.47Å | 1.49Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.39Å | 1.41Å | |
| N07 | C08 | sing | 1.46Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | N15 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | N19 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.42Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.43Å | 1.44Å | |
| C18 | N19 | doub | 1.30Å | 1.36Å | Aromatic |
| C20 | N21 | trip | 1.14Å | 1.15Å | |
| C22 | N23 | doub | 1.31Å | 1.31Å | Aromatic |
| C22 | S26 | sing | 1.76Å | 1.74Å | Aromatic |
| N23 | N24 | sing | 1.26Å | 1.37Å | Aromatic |
| N24 | C25 | doub | 1.29Å | 1.31Å | Aromatic |
| C25 | S26 | sing | 1.71Å | 1.71Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C32 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | N33 | sing | 1.47Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| N33 | C34 | sing | 1.35Å | 1.33Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | O36 | doub | 1.21Å | 1.24Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | 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 | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 117.3° | 119.0° |
| C02 | C01 | C22 | 120.1° | 120.5° |
| C01 | C02 | N03 | 123.9° | 120.8° |
| C01 | C02 | H021 | 118.1° | 119.6° |
| C06 | C01 | C22 | 122.2° | 120.5° |
| C01 | C06 | C05 | 118.5° | 118.3° |
| C01 | C06 | N07 | 119.7° | 120.8° |
| C01 | C22 | N23 | 125.7° | 126.2° |
| C01 | C22 | S26 | 121.3° | 126.3° |
| C02 | N03 | C04 | 118.2° | 121.9° |
| N03 | C02 | H021 | 118.0° | 119.6° |
| N03 | C04 | C05 | 121.2° | 120.9° |
| N03 | C04 | C11 | 119.1° | 119.6° |
| C05 | C04 | C11 | 119.1° | 119.5° |
| C04 | C05 | C06 | 120.6° | 119.1° |
| C04 | C05 | H051 | 119.7° | 120.5° |
| C04 | C11 | C12 | 123.9° | 125.7° |
| C04 | C11 | N15 | 128.9° | 125.7° |
| C05 | C06 | N07 | 121.8° | 120.9° |
| C06 | C05 | H051 | 119.7° | 120.4° |
| C06 | N07 | C08 | 125.8° | 120.0° |
| C06 | N07 | H071 | 105.3° | 120.0° |
| N07 | C08 | C09 | 109.0° | 109.5° |
| N07 | C08 | C10 | 110.2° | 109.5° |
| N07 | C08 | H081 | 110.6° | 109.5° |
| C08 | N07 | H071 | 105.3° | 120.0° |
| C09 | C08 | C10 | 107.9° | 109.5° |
| C09 | C08 | H081 | 109.6° | 109.4° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H092 | 109.4° | 109.5° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| C08 | C10 | H101 | 109.5° | 109.4° |
| C08 | C10 | H102 | 109.5° | 109.5° |
| C08 | C10 | H103 | 109.5° | 109.5° |
| C10 | C08 | H081 | 109.6° | 109.5° |
| C12 | C11 | N15 | 106.7° | 108.6° |
| C11 | C12 | C13 | 110.7° | 107.8° |
| C11 | C12 | H121 | 124.7° | 126.1° |
| C11 | N15 | C14 | 108.0° | 108.2° |
| C11 | N15 | N19 | 126.7° | 131.8° |
| C12 | C13 | C14 | 106.9° | 107.4° |
| C12 | C13 | H131 | 126.6° | 126.3° |
| C13 | C12 | H121 | 124.7° | 126.1° |
| C13 | C14 | N15 | 107.8° | 108.1° |
| C13 | C14 | C16 | 135.9° | 132.4° |
| C14 | C13 | H131 | 126.6° | 126.3° |
| N15 | C14 | C16 | 116.3° | 119.5° |
| C14 | N15 | N19 | 125.3° | 120.0° |
| C14 | C16 | C17 | 119.0° | 118.9° |
| C14 | C16 | H161 | 120.5° | 120.6° |
| N15 | N19 | C18 | 116.4° | 121.2° |
| C16 | C17 | C18 | 120.3° | 119.6° |
| C16 | C17 | C20 | 118.8° | 120.2° |
| C17 | C16 | H161 | 120.5° | 120.6° |
| C18 | C17 | C20 | 121.0° | 120.2° |
| C17 | C18 | N19 | 122.7° | 120.9° |
| C17 | C18 | H181 | 118.6° | 119.6° |
| C17 | C20 | N21 | 177.5° | 179.9° |
| N19 | C18 | H181 | 118.7° | 119.6° |
| N23 | C22 | S26 | 112.5° | 107.5° |
| C22 | N23 | N24 | 112.8° | 116.2° |
| C22 | S26 | C25 | 87.9° | 89.4° |
| N23 | N24 | C25 | 113.3° | 117.9° |
| N24 | C25 | S26 | 113.4° | 108.9° |
| N24 | C25 | C27 | 124.4° | 125.5° |
| S26 | C25 | C27 | 121.9° | 125.5° |
| C25 | C27 | C28 | 117.1° | 109.5° |
| C25 | C27 | C32 | 103.7° | 109.5° |
| C25 | C27 | H271 | 107.3° | 109.4° |
| C28 | C27 | C32 | 114.7° | 109.5° |
| C27 | C28 | C29 | 109.6° | 109.5° |
| C27 | C28 | H281 | 109.4° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.5° |
| C28 | C27 | H271 | 106.8° | 109.5° |
| C27 | C32 | C31 | 114.0° | 109.5° |
| C32 | C27 | H271 | 106.6° | 109.5° |
| C27 | C32 | H321 | 108.3° | 109.4° |
| C27 | C32 | H322 | 108.3° | 109.5° |
| C28 | C29 | C30 | 112.5° | 109.4° |
| C29 | C28 | H281 | 109.5° | 109.4° |
| C29 | C28 | H282 | 109.4° | 109.5° |
| C28 | C29 | H291 | 108.7° | 109.5° |
| C28 | C29 | H292 | 108.7° | 109.4° |
| C29 | C30 | C31 | 111.1° | 109.5° |
| C29 | C30 | N33 | 110.5° | 109.5° |
| C30 | C29 | H291 | 108.7° | 109.4° |
| C30 | C29 | H292 | 108.7° | 109.4° |
| C29 | C30 | H301 | 106.4° | 109.5° |
| C31 | C30 | N33 | 114.4° | 109.5° |
| C30 | C31 | C32 | 110.2° | 109.5° |
| C31 | C30 | H301 | 106.4° | 109.5° |
| C30 | C31 | H311 | 109.3° | 109.4° |
| C30 | C31 | H312 | 109.3° | 109.5° |
| C30 | N33 | C34 | 124.1° | 120.0° |
| N33 | C30 | H301 | 107.5° | 109.5° |
| C30 | N33 | H331 | 117.9° | 120.0° |
| C32 | C31 | H311 | 109.3° | 109.5° |
| C32 | C31 | H312 | 109.3° | 109.5° |
| C31 | C32 | H321 | 108.4° | 109.5° |
| C31 | C32 | H322 | 108.3° | 109.5° |
| N33 | C34 | C35 | 115.4° | 120.0° |
| N33 | C34 | O36 | 121.2° | 120.0° |
| C34 | N33 | H331 | 118.0° | 120.0° |
| C35 | C34 | O36 | 123.4° | 120.0° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.4° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.4° |
| H092 | C09 | H093 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C22 | 172.7° | 179.8° |
| C01 | C02 | N03 | H021 | 180.0° | 179.9° |
| C01 | C02 | N03 | C04 | 0.2° | 0.1° |
| C02 | C01 | C06 | C05 | 2.6° | 0.0° |
| C02 | C01 | C06 | N07 | 177.6° | 180.0° |
| C02 | C01 | C22 | N23 | 173.3° | 180.0° |
| C02 | C01 | C22 | S26 | 15.8° | 0.4° |
| C06 | C01 | C02 | N03 | 3.5° | 0.0° |
| C01 | C06 | C05 | C04 | 1.6° | 0.0° |
| C01 | C06 | C05 | N07 | 179.8° | 180.0° |
| C01 | C06 | N07 | C08 | 177.1° | 180.0° |
| C06 | C01 | C22 | N23 | 14.3° | 0.2° |
| C06 | C01 | C22 | S26 | 156.7° | 179.4° |
| C06 | C01 | C02 | H021 | 176.6° | 179.9° |
| C01 | C06 | C05 | H051 | 178.4° | 180.0° |
| C01 | C06 | N07 | H071 | 60.6° | 0.0° |
| C22 | C01 | C02 | N03 | 176.3° | 179.8° |
| C22 | C01 | C06 | C05 | 175.3° | 179.8° |
| C22 | C01 | C06 | N07 | 4.9° | 0.2° |
| C01 | C22 | N23 | S26 | 171.7° | 179.7° |
| C01 | C22 | N23 | N24 | 174.6° | 179.7° |
| C01 | C22 | S26 | C25 | 175.7° | 179.7° |
| C22 | C01 | C02 | H021 | 3.7° | 0.3° |
| C02 | N03 | C04 | C05 | 4.7° | 0.1° |
| C02 | N03 | C04 | C11 | 175.5° | 180.0° |
| N03 | C04 | C05 | C11 | 170.8° | 179.9° |
| N03 | C04 | C05 | C06 | 5.5° | 0.1° |
| N03 | C04 | C11 | C12 | 18.2° | 0.1° |
| N03 | C04 | C11 | N15 | 171.4° | 179.7° |
| C04 | N03 | C02 | H021 | 179.8° | 180.0° |
| N03 | C04 | C05 | H051 | 174.5° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 178.1° | 180.0° |
| C05 | C04 | C11 | C12 | 152.8° | 180.0° |
| C05 | C04 | C11 | N15 | 17.7° | 0.4° |
| C11 | C04 | C05 | C06 | 176.3° | 180.0° |
| C04 | C11 | C12 | N15 | 172.2° | 179.6° |
| C04 | C11 | C12 | C13 | 175.0° | 180.0° |
| C04 | C11 | N15 | C14 | 173.8° | 179.9° |
| C04 | C11 | N15 | N19 | 6.2° | 0.4° |
| C11 | C04 | C05 | H051 | 3.8° | 0.1° |
| C04 | C11 | C12 | H121 | 5.0° | 0.1° |
| C05 | C06 | N07 | C08 | 3.1° | 0.0° |
| C05 | C06 | N07 | H071 | 119.1° | 180.0° |
| C06 | N07 | C08 | H071 | 122.2° | 180.0° |
| C06 | N07 | C08 | C09 | 166.2° | 155.0° |
| C06 | N07 | C08 | C10 | 75.6° | 85.0° |
| N07 | C06 | C05 | H051 | 1.8° | 0.0° |
| C06 | N07 | C08 | H081 | 45.7° | 35.1° |
| N07 | C08 | C09 | C10 | 119.6° | 120.1° |
| N07 | C08 | C09 | H081 | 121.1° | 120.0° |
| N07 | C08 | C10 | H081 | 121.9° | 120.0° |
| N07 | C08 | C10 | H101 | 180.0° | 60.0° |
| N07 | C08 | C10 | H102 | 60.0° | 180.0° |
| N07 | C08 | C10 | H103 | 60.0° | 59.9° |
| N07 | C08 | C09 | H091 | 180.0° | 60.0° |
| N07 | C08 | C09 | H092 | 60.0° | 60.0° |
| N07 | C08 | C09 | H093 | 60.0° | 180.0° |
| C09 | C08 | C10 | H081 | 119.3° | 119.9° |
| C09 | C08 | C10 | H101 | 61.2° | 60.1° |
| C09 | C08 | C10 | H102 | 178.8° | 59.9° |
| C09 | C08 | C10 | H103 | 58.8° | 180.0° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C08 | C09 | H091 | H093 | 120.0° | 120.1° |
| C08 | C09 | H092 | H093 | 120.0° | 120.1° |
| C09 | C08 | N07 | H071 | 71.6° | 25.0° |
| C08 | C10 | H101 | H102 | 120.0° | 120.0° |
| C08 | C10 | H101 | H103 | 120.0° | 119.9° |
| C08 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C08 | C09 | H091 | 60.4° | 60.0° |
| C10 | C08 | C09 | H092 | 59.6° | 180.0° |
| C10 | C08 | C09 | H093 | 179.6° | 60.0° |
| C10 | C08 | N07 | H071 | 46.7° | 95.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.3° | 0.1° |
| C12 | C11 | N15 | C14 | 2.1° | 0.5° |
| C12 | C11 | N15 | N19 | 178.0° | 180.0° |
| C11 | C12 | C13 | H131 | 177.8° | 179.8° |
| N15 | C11 | C12 | C13 | 2.7° | 0.3° |
| C11 | N15 | C14 | C13 | 0.8° | 0.4° |
| C11 | N15 | C14 | N19 | 179.9° | 179.6° |
| C11 | N15 | C14 | C16 | 178.2° | 179.6° |
| C11 | N15 | N19 | C18 | 179.0° | 179.9° |
| N15 | C11 | C12 | H121 | 177.3° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | N15 | 0.9° | 0.2° |
| C12 | C13 | C14 | C16 | 179.6° | 179.8° |
| C13 | C14 | N15 | C16 | 179.0° | 180.0° |
| C13 | C14 | N15 | N19 | 179.3° | 180.0° |
| C13 | C14 | C16 | C17 | 180.0° | 180.0° |
| C14 | C13 | C12 | H121 | 177.7° | 180.0° |
| C13 | C14 | C16 | H161 | 0.0° | 0.1° |
| N15 | C14 | C16 | C17 | 1.4° | 0.0° |
| C14 | N15 | N19 | C18 | 0.9° | 0.4° |
| N15 | C14 | C13 | H131 | 179.1° | 180.0° |
| N15 | C14 | C16 | H161 | 178.6° | 179.9° |
| C16 | C14 | N15 | N19 | 1.7° | 0.0° |
| C14 | C16 | C17 | H161 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 0.4° | 0.4° |
| C14 | C16 | C17 | C20 | 179.7° | 179.6° |
| C16 | C14 | C13 | H131 | 0.5° | 0.0° |
| N15 | N19 | C18 | C17 | 0.2° | 0.8° |
| N15 | N19 | C18 | H181 | 179.8° | 179.1° |
| C16 | C17 | C18 | C20 | 179.9° | 179.2° |
| C16 | C17 | C18 | N19 | 0.4° | 0.8° |
| C16 | C17 | C20 | N21 | 7.7° | 147.0° |
| C16 | C17 | C18 | H181 | 179.6° | 179.2° |
| C17 | C18 | N19 | H181 | 180.0° | 180.0° |
| C18 | C17 | C20 | N21 | 172.4° | 33.8° |
| C18 | C17 | C16 | H161 | 179.5° | 179.5° |
| C20 | C17 | C18 | N19 | 179.4° | 180.0° |
| C20 | C17 | C16 | H161 | 0.3° | 0.4° |
| C20 | C17 | C18 | H181 | 0.6° | 0.0° |
| C22 | N23 | N24 | C25 | 0.3° | 0.0° |
| N23 | C22 | S26 | C25 | 3.6° | 0.0° |
| S26 | C22 | N23 | N24 | 2.9° | 0.0° |
| C22 | S26 | C25 | N24 | 3.4° | 0.0° |
| C22 | S26 | C25 | C27 | 177.1° | 179.9° |
| N23 | N24 | C25 | S26 | 2.6° | 0.0° |
| N23 | N24 | C25 | C27 | 176.0° | 179.9° |
| N24 | C25 | S26 | C27 | 173.7° | 179.9° |
| N24 | C25 | C27 | C28 | 82.1° | 60.1° |
| N24 | C25 | C27 | C32 | 45.3° | 59.9° |
| N24 | C25 | C27 | H271 | 157.9° | 179.9° |
| S26 | C25 | C27 | C28 | 104.9° | 120.0° |
| S26 | C25 | C27 | C32 | 127.6° | 120.0° |
| S26 | C25 | C27 | H271 | 15.1° | 0.1° |
| C25 | C27 | C28 | C32 | 121.9° | 120.1° |
| C25 | C27 | C28 | H271 | 120.2° | 119.9° |
| C25 | C27 | C32 | H271 | 113.1° | 120.0° |
| C25 | C27 | C28 | C29 | 171.3° | 180.0° |
| C25 | C27 | C32 | C31 | 177.1° | 180.0° |
| C25 | C27 | C28 | H281 | 51.3° | 60.1° |
| C25 | C27 | C28 | H282 | 68.7° | 59.9° |
| C25 | C27 | C32 | H321 | 62.2° | 60.0° |
| C25 | C27 | C32 | H322 | 56.5° | 60.0° |
| C28 | C27 | C32 | H271 | 118.0° | 120.0° |
| C27 | C28 | C29 | H281 | 120.0° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 55.3° | 60.0° |
| C28 | C27 | C32 | C31 | 48.2° | 60.0° |
| C27 | C28 | H281 | H282 | 119.9° | 120.0° |
| C27 | C28 | C29 | H291 | 175.8° | 180.0° |
| C27 | C28 | C29 | H292 | 65.1° | 60.0° |
| C28 | C27 | C32 | H321 | 168.9° | 180.0° |
| C28 | C27 | C32 | H322 | 72.4° | 60.0° |
| C32 | C27 | C28 | C29 | 49.4° | 60.0° |
| C27 | C32 | C31 | C30 | 49.4° | 60.0° |
| C27 | C32 | C31 | H321 | 120.7° | 119.9° |
| C27 | C32 | C31 | H322 | 120.7° | 120.0° |
| C32 | C27 | C28 | H281 | 70.6° | 60.0° |
| C32 | C27 | C28 | H282 | 169.4° | 180.0° |
| C27 | C32 | C31 | H311 | 169.6° | 180.0° |
| C27 | C32 | C31 | H312 | 70.7° | 60.0° |
| C27 | C32 | H321 | H322 | 117.9° | 120.0° |
| C28 | C29 | C30 | H291 | 120.5° | 120.1° |
| C28 | C29 | C30 | H292 | 120.4° | 119.9° |
| C28 | C29 | C30 | C31 | 59.7° | 60.0° |
| C28 | C29 | C30 | N33 | 172.1° | 180.0° |
| C29 | C28 | H281 | H282 | 120.0° | 120.0° |
| C29 | C28 | C27 | H271 | 68.5° | 60.0° |
| C28 | C29 | H291 | H292 | 118.6° | 120.0° |
| C28 | C29 | C30 | H301 | 55.6° | 60.0° |
| C29 | C30 | C31 | N33 | 126.0° | 120.0° |
| C29 | C30 | C31 | H301 | 115.4° | 120.0° |
| C29 | C30 | N33 | H301 | 115.7° | 120.0° |
| C29 | C30 | C31 | C32 | 54.9° | 60.0° |
| C29 | C30 | N33 | C34 | 79.2° | 155.0° |
| C30 | C29 | C28 | H281 | 64.7° | 60.0° |
| C30 | C29 | C28 | H282 | 175.4° | 180.0° |
| C30 | C29 | H291 | H292 | 118.6° | 120.0° |
| C29 | C30 | C31 | H311 | 175.0° | 180.0° |
| C29 | C30 | C31 | H312 | 65.2° | 60.0° |
| C29 | C30 | N33 | H331 | 100.8° | 25.0° |
| C31 | C30 | N33 | H301 | 117.9° | 120.0° |
| C30 | C31 | C32 | H311 | 120.1° | 119.9° |
| C30 | C31 | C32 | H312 | 120.1° | 120.0° |
| C31 | C30 | N33 | C34 | 154.5° | 85.0° |
| C31 | C30 | C29 | H291 | 179.8° | 180.0° |
| C31 | C30 | C29 | H292 | 60.7° | 60.0° |
| C30 | C31 | H311 | H312 | 119.6° | 120.0° |
| C30 | C31 | C32 | H321 | 170.1° | 180.0° |
| C30 | C31 | C32 | H322 | 71.2° | 60.0° |
| C31 | C30 | N33 | H331 | 25.5° | 95.0° |
| N33 | C30 | C31 | C32 | 179.1° | 180.0° |
| C30 | N33 | C34 | H331 | 180.0° | 180.0° |
| C30 | N33 | C34 | C35 | 179.2° | 180.0° |
| C30 | N33 | C34 | O36 | 1.5° | 0.0° |
| N33 | C30 | C29 | H291 | 51.6° | 60.0° |
| N33 | C30 | C29 | H292 | 67.5° | 60.1° |
| N33 | C30 | C31 | H311 | 59.0° | 60.0° |
| N33 | C30 | C31 | H312 | 60.8° | 60.0° |
| C31 | C32 | C27 | H271 | 69.8° | 60.0° |
| C32 | C31 | C30 | H301 | 60.5° | 60.0° |
| C32 | C31 | H311 | H312 | 119.7° | 120.0° |
| C31 | C32 | H321 | H322 | 118.0° | 120.0° |
| N33 | C34 | C35 | O36 | 179.3° | 180.0° |
| C34 | N33 | C30 | H301 | 36.5° | 35.0° |
| N33 | C34 | C35 | H351 | 179.3° | 180.0° |
| N33 | C34 | C35 | H352 | 60.7° | 60.0° |
| N33 | C34 | C35 | H353 | 59.3° | 59.9° |
| C34 | C35 | H351 | H352 | 120.0° | 119.9° |
| C34 | C35 | H351 | H353 | 120.0° | 120.1° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C34 | N33 | H331 | 0.8° | 0.1° |
| O36 | C34 | C35 | H351 | 0.0° | 0.1° |
| O36 | C34 | C35 | H352 | 120.0° | 120.0° |
| O36 | C34 | C35 | H353 | 120.0° | 120.0° |
| O36 | C34 | N33 | H331 | 178.5° | 180.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H101 | C10 | C08 | H081 | 58.1° | 180.0° |
| H102 | C10 | C08 | H081 | 61.9° | 60.0° |
| H103 | C10 | C08 | H081 | 178.1° | 60.1° |
| H131 | C13 | C12 | H121 | 2.2° | 0.2° |
| H281 | C28 | C27 | H271 | 171.5° | 180.0° |
| H281 | C28 | C29 | H291 | 55.8° | 60.0° |
| H281 | C28 | C29 | H292 | 174.9° | 179.9° |
| H282 | C28 | C27 | H271 | 51.5° | 60.0° |
| H282 | C28 | C29 | H291 | 64.2° | 60.0° |
| H282 | C28 | C29 | H292 | 54.9° | 60.1° |
| H081 | C08 | C09 | H091 | 58.9° | 180.0° |
| H081 | C08 | C09 | H092 | 178.9° | 60.0° |
| H081 | C08 | C09 | H093 | 61.1° | 60.0° |
| H081 | C08 | N07 | H071 | 168.0° | 145.0° |
| H091 | C09 | H092 | H093 | 120.0° | 119.9° |
| H271 | C27 | C32 | H321 | 50.9° | 60.0° |
| H271 | C27 | C32 | H322 | 169.5° | 180.0° |
| H291 | C29 | C30 | H301 | 64.8° | 60.0° |
| H292 | C29 | C30 | H301 | 176.1° | 180.0° |
| H301 | C30 | C31 | H311 | 59.6° | 60.0° |
| H301 | C30 | C31 | H312 | 179.4° | NaN° |
| H301 | C30 | N33 | H331 | 143.4° | 145.0° |
| H311 | C31 | C32 | H321 | 69.8° | 60.1° |
| H311 | C31 | C32 | H322 | 48.9° | 60.0° |
| H312 | C31 | C32 | H321 | 50.0° | 60.0° |
| H312 | C31 | C32 | H322 | 168.7° | 180.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
