A1JJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C34 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.49Å | |
| N06 | C07 | sing | 1.47Å | 1.50Å | |
| N06 | C33 | sing | 1.47Å | 1.50Å | |
| C07 | C08 | sing | 1.51Å | 1.57Å | |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.38Å | |
| C12 | C14 | sing | 1.39Å | 1.48Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.52Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| N15 | C30 | sing | 1.47Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C17 | C18 | sing | 1.54Å | 1.61Å | |
| C17 | C19 | sing | 1.54Å | 1.58Å | |
| C17 | N29 | sing | 1.46Å | 1.46Å | |
| C18 | N20 | sing | 1.48Å | 1.54Å | |
| C19 | N20 | sing | 1.48Å | 1.54Å | |
| N20 | C21 | sing | 1.39Å | 1.47Å | |
| C21 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | N22 | sing | 1.33Å | 1.41Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.36Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.34Å | Aromatic |
| N24 | C25 | doub | 1.33Å | 1.40Å | Aromatic |
| C25 | N26 | sing | 1.39Å | 1.43Å | |
| C25 | C28 | sing | 1.39Å | 1.46Å | Aromatic |
| N26 | C27 | sing | 1.47Å | 1.50Å | |
| N29 | C31 | sing | 1.34Å | 1.37Å | |
| C30 | C31 | sing | 1.50Å | 1.59Å | |
| C31 | O32 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | 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 | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C34 | 108.6° | 109.5° |
| C01 | C02 | C03 | 112.0° | 109.5° |
| C01 | C02 | C04 | 109.1° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C34 | C02 | C03 | 105.7° | 109.5° |
| C34 | C02 | C04 | 109.1° | 109.2° |
| C02 | C34 | C33 | 111.8° | 109.3° |
| C02 | C34 | H341 | 108.9° | 109.5° |
| C02 | C34 | H342 | 108.9° | 109.5° |
| C03 | C02 | C04 | 112.2° | 109.6° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C04 | C05 | 111.6° | 109.2° |
| C02 | C04 | H041 | 108.9° | 109.5° |
| C02 | C04 | H042 | 108.9° | 109.5° |
| C04 | C05 | N06 | 114.9° | 109.5° |
| C05 | C04 | H041 | 109.0° | 109.5° |
| C05 | C04 | H042 | 108.9° | 109.5° |
| C04 | C05 | H051 | 108.1° | 109.5° |
| C04 | C05 | H052 | 108.1° | 109.5° |
| C05 | N06 | C07 | 112.5° | 111.0° |
| C05 | N06 | C33 | 111.7° | 111.2° |
| N06 | C05 | H051 | 108.1° | 109.4° |
| N06 | C05 | H052 | 108.1° | 109.5° |
| C07 | N06 | C33 | 108.4° | 111.0° |
| N06 | C07 | C08 | 110.8° | 109.5° |
| N06 | C07 | H071 | 109.1° | 109.4° |
| N06 | C07 | H072 | 109.1° | 109.5° |
| N06 | C33 | C34 | 113.8° | 109.5° |
| N06 | C33 | H331 | 108.4° | 109.4° |
| N06 | C33 | H332 | 108.4° | 109.4° |
| C07 | C08 | C09 | 125.3° | 119.9° |
| C07 | C08 | C11 | 120.3° | 119.9° |
| C08 | C07 | H071 | 109.2° | 109.5° |
| C08 | C07 | H072 | 109.1° | 109.5° |
| C09 | C08 | C11 | 114.4° | 120.2° |
| C08 | C09 | C10 | 122.5° | 120.2° |
| C08 | C09 | H091 | 118.8° | 119.9° |
| C08 | C11 | C12 | 124.2° | 120.0° |
| C08 | C11 | H111 | 117.9° | 120.0° |
| C09 | C10 | C14 | 126.1° | 119.9° |
| C09 | C10 | H101 | 116.9° | 120.1° |
| C10 | C09 | H091 | 118.8° | 119.9° |
| C10 | C14 | C12 | 112.0° | 119.8° |
| C10 | C14 | N15 | 128.0° | 120.1° |
| C14 | C10 | H101 | 116.9° | 120.0° |
| C11 | C12 | O13 | 122.2° | 120.1° |
| C11 | C12 | C14 | 120.8° | 119.8° |
| C12 | C11 | H111 | 117.9° | 120.0° |
| O13 | C12 | C14 | 117.0° | 120.1° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C14 | N15 | 120.0° | 120.1° |
| C14 | N15 | C16 | 121.2° | 111.0° |
| C14 | N15 | C30 | 119.8° | 111.0° |
| C16 | N15 | C30 | 103.8° | 110.5° |
| N15 | C16 | C17 | 113.5° | 108.3° |
| N15 | C16 | H161 | 108.5° | 109.7° |
| N15 | C16 | H162 | 108.5° | 109.7° |
| N15 | C30 | C31 | 117.8° | 110.6° |
| N15 | C30 | H301 | 107.3° | 109.2° |
| N15 | C30 | H302 | 107.3° | 109.2° |
| C16 | C17 | C18 | 134.2° | 113.5° |
| C16 | C17 | C19 | 115.7° | 113.5° |
| C16 | C17 | N29 | 106.8° | 113.1° |
| C17 | C16 | H161 | 108.4° | 109.7° |
| C17 | C16 | H162 | 108.5° | 109.7° |
| C18 | C17 | C19 | 85.5° | 86.7° |
| C18 | C17 | N29 | 106.9° | 113.8° |
| C17 | C18 | N20 | 91.8° | 86.1° |
| C17 | C18 | H181 | 113.7° | 113.8° |
| C17 | C18 | H182 | 113.7° | 113.7° |
| C19 | C17 | N29 | 102.9° | 113.7° |
| C17 | C19 | N20 | 93.3° | 86.1° |
| C17 | C19 | H191 | 113.4° | 113.8° |
| C17 | C19 | H192 | 113.3° | 113.8° |
| C17 | N29 | C31 | 124.4° | 121.6° |
| C17 | N29 | H291 | 117.8° | 119.2° |
| C18 | N20 | C19 | 89.1° | 90.8° |
| C18 | N20 | C21 | 133.2° | 111.0° |
| N20 | C18 | H181 | 113.7° | 113.8° |
| N20 | C18 | H182 | 113.7° | 113.8° |
| C19 | N20 | C21 | 135.2° | 111.0° |
| N20 | C19 | H191 | 113.3° | 113.8° |
| N20 | C19 | H192 | 113.4° | 113.8° |
| N20 | C21 | C28 | 125.8° | 120.5° |
| N20 | C21 | N22 | 119.7° | 120.5° |
| C28 | C21 | N22 | 114.5° | 119.1° |
| C21 | C28 | C25 | 124.3° | 118.3° |
| C21 | C28 | H281 | 117.8° | 120.9° |
| C21 | N22 | C23 | 117.5° | 120.9° |
| N22 | C23 | N24 | 131.3° | 121.9° |
| N22 | C23 | H231 | 114.3° | 119.0° |
| C23 | N24 | C25 | 115.3° | 120.9° |
| N24 | C23 | H231 | 114.4° | 119.1° |
| N24 | C25 | N26 | 117.6° | 120.5° |
| N24 | C25 | C28 | 117.0° | 119.0° |
| N26 | C25 | C28 | 125.4° | 120.5° |
| C25 | N26 | C27 | 128.2° | 120.0° |
| C25 | N26 | H261 | 104.6° | 120.0° |
| C25 | C28 | H281 | 117.8° | 120.9° |
| N26 | C27 | H271 | 109.5° | 109.4° |
| N26 | C27 | H272 | 109.5° | 109.5° |
| N26 | C27 | H273 | 109.5° | 109.5° |
| C27 | N26 | H261 | 104.6° | 120.0° |
| N29 | C31 | C30 | 118.1° | 122.5° |
| N29 | C31 | O32 | 118.9° | 118.7° |
| C31 | N29 | H291 | 117.8° | 119.2° |
| C30 | C31 | O32 | 123.0° | 118.8° |
| C31 | C30 | H301 | 107.4° | 109.2° |
| C31 | C30 | H302 | 107.4° | 109.2° |
| C34 | C33 | H331 | 108.4° | 109.5° |
| C34 | C33 | H332 | 108.4° | 109.5° |
| C33 | C34 | H341 | 108.9° | 109.5° |
| C33 | C34 | H342 | 108.9° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.6° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.7° |
| H181 | C18 | H182 | 109.5° | 113.0° |
| H191 | C19 | H192 | 109.5° | 113.1° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.2° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C34 | C03 | 120.4° | 120.1° |
| C01 | C02 | C34 | C04 | 118.8° | 119.9° |
| C01 | C02 | C03 | C04 | 123.1° | 120.2° |
| C01 | C02 | C04 | C05 | 172.3° | 177.5° |
| C01 | C02 | C34 | C33 | 174.8° | 177.5° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C01 | C02 | C04 | H041 | 52.0° | 57.7° |
| C01 | C02 | C04 | H042 | 67.4° | 62.5° |
| C01 | C02 | C34 | H341 | 64.9° | 62.5° |
| C01 | C02 | C34 | H342 | 54.4° | 57.6° |
| C34 | C02 | C03 | C04 | 118.8° | 119.7° |
| C34 | C02 | C04 | C05 | 53.8° | 57.6° |
| C02 | C34 | C33 | N06 | 55.4° | 59.2° |
| C02 | C34 | C33 | H341 | 120.3° | 119.9° |
| C02 | C34 | C33 | H342 | 120.4° | 119.9° |
| C34 | C02 | C01 | H011 | 180.0° | 60.0° |
| C34 | C02 | C01 | H012 | 60.0° | 180.0° |
| C34 | C02 | C01 | H013 | 60.0° | 60.0° |
| C34 | C02 | C03 | H031 | 61.9° | 60.1° |
| C34 | C02 | C03 | H032 | 178.1° | 59.9° |
| C34 | C02 | C03 | H033 | 58.1° | 179.9° |
| C34 | C02 | C04 | H041 | 66.5° | 62.2° |
| C34 | C02 | C04 | H042 | 174.1° | 177.6° |
| C02 | C34 | C33 | H331 | 176.0° | 60.8° |
| C02 | C34 | C33 | H332 | 65.2° | 179.2° |
| C02 | C34 | H341 | H342 | 118.9° | 120.0° |
| C03 | C02 | C04 | C05 | 62.9° | 62.3° |
| C03 | C02 | C34 | C33 | 64.8° | 62.3° |
| C03 | C02 | C01 | H011 | 63.6° | 60.1° |
| C03 | C02 | C01 | H012 | 176.3° | 59.9° |
| C03 | C02 | C01 | H013 | 56.3° | 179.9° |
| C02 | C03 | H031 | H032 | 120.0° | 120.1° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 176.7° | 177.8° |
| C03 | C02 | C04 | H042 | 57.4° | 57.7° |
| C03 | C02 | C34 | H341 | 55.5° | 57.7° |
| C03 | C02 | C34 | H342 | 174.8° | 177.7° |
| C02 | C04 | C05 | H041 | 120.3° | 119.9° |
| C02 | C04 | C05 | H042 | 120.3° | 120.0° |
| C02 | C04 | C05 | N06 | 51.8° | 59.2° |
| C04 | C02 | C34 | C33 | 56.0° | 57.7° |
| C04 | C02 | C01 | H011 | 61.2° | 179.7° |
| C04 | C02 | C01 | H012 | 58.8° | 60.3° |
| C04 | C02 | C01 | H013 | 178.8° | 59.7° |
| C04 | C02 | C03 | H031 | 56.9° | 179.9° |
| C04 | C02 | C03 | H032 | 63.1° | 59.8° |
| C04 | C02 | C03 | H033 | 176.9° | 60.1° |
| C02 | C04 | H041 | H042 | 119.0° | 120.2° |
| C02 | C04 | C05 | H051 | 172.6° | 179.2° |
| C02 | C04 | C05 | H052 | 69.0° | 60.9° |
| C04 | C02 | C34 | H341 | 176.3° | 177.6° |
| C04 | C02 | C34 | H342 | 64.4° | 62.3° |
| C04 | C05 | N06 | H051 | 120.8° | 120.0° |
| C04 | C05 | N06 | H052 | 120.8° | 120.0° |
| C04 | C05 | N06 | C07 | 170.8° | 174.2° |
| C04 | C05 | N06 | C33 | 48.6° | 61.8° |
| C05 | C04 | H041 | H042 | 119.0° | 120.1° |
| C04 | C05 | H051 | H052 | 117.6° | 120.0° |
| C05 | N06 | C07 | C33 | 124.0° | 124.2° |
| C05 | N06 | C07 | C08 | 173.3° | 170.0° |
| C05 | N06 | C33 | C34 | 50.2° | 61.7° |
| N06 | C05 | C04 | H041 | 68.5° | 60.7° |
| N06 | C05 | C04 | H042 | 172.1° | 179.2° |
| N06 | C05 | H051 | H052 | 117.5° | 120.0° |
| C05 | N06 | C07 | H071 | 53.0° | 70.0° |
| C05 | N06 | C07 | H072 | 66.6° | 50.0° |
| C05 | N06 | C33 | H331 | 170.8° | 58.3° |
| C05 | N06 | C33 | H332 | 70.4° | 178.2° |
| N06 | C07 | C08 | H071 | 120.2° | 120.0° |
| N06 | C07 | C08 | H072 | 120.2° | 120.0° |
| N06 | C07 | C08 | C09 | 108.2° | 90.0° |
| N06 | C07 | C08 | C11 | 70.3° | 90.0° |
| C07 | N06 | C33 | C34 | 174.7° | 174.2° |
| C07 | N06 | C05 | H051 | 68.4° | 54.2° |
| C07 | N06 | C05 | H052 | 50.0° | 65.8° |
| N06 | C07 | H071 | H072 | 119.4° | 120.0° |
| C07 | N06 | C33 | H331 | 64.6° | 65.8° |
| C07 | N06 | C33 | H332 | 54.1° | 54.1° |
| C33 | N06 | C07 | C08 | 62.7° | 65.8° |
| N06 | C33 | C34 | H331 | 120.6° | 120.0° |
| N06 | C33 | C34 | H332 | 120.6° | 120.0° |
| C33 | N06 | C05 | H051 | 169.4° | 178.2° |
| C33 | N06 | C05 | H052 | 72.2° | 58.3° |
| C33 | N06 | C07 | H071 | 177.0° | 54.2° |
| C33 | N06 | C07 | H072 | 57.5° | 174.2° |
| N06 | C33 | H331 | H332 | 118.0° | 119.9° |
| N06 | C33 | C34 | H341 | 175.8° | 179.1° |
| N06 | C33 | C34 | H342 | 64.9° | 60.8° |
| C07 | C08 | C09 | C11 | 178.6° | 180.0° |
| C07 | C08 | C09 | C10 | 179.1° | 180.0° |
| C07 | C08 | C11 | C12 | 179.2° | 179.7° |
| C08 | C07 | H071 | H072 | 119.4° | 120.0° |
| C07 | C08 | C09 | H091 | 0.9° | 0.0° |
| C07 | C08 | C11 | H111 | 0.8° | 0.1° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C14 | 0.0° | 0.0° |
| C09 | C08 | C11 | C12 | 0.5° | 0.3° |
| C08 | C09 | C10 | H101 | 180.0° | 179.8° |
| C09 | C08 | C07 | H071 | 131.5° | 150.0° |
| C09 | C08 | C07 | H072 | 12.0° | 30.0° |
| C09 | C08 | C11 | H111 | 179.5° | 179.9° |
| C11 | C08 | C09 | C10 | 0.5° | 0.0° |
| C08 | C11 | C12 | H111 | 180.0° | 179.6° |
| C08 | C11 | C12 | O13 | 179.2° | 179.9° |
| C08 | C11 | C12 | C14 | 0.0° | 0.6° |
| C11 | C08 | C07 | H071 | 49.9° | 30.0° |
| C11 | C08 | C07 | H072 | 169.5° | 150.0° |
| C11 | C08 | C09 | H091 | 179.5° | 180.0° |
| C09 | C10 | C14 | H101 | 180.0° | 179.8° |
| C09 | C10 | C14 | C12 | 0.5° | 0.3° |
| C09 | C10 | C14 | N15 | 179.7° | 179.7° |
| C10 | C14 | C12 | C11 | 0.4° | 0.6° |
| C10 | C14 | C12 | O13 | 179.7° | 179.9° |
| C10 | C14 | C12 | N15 | 179.8° | 180.0° |
| C10 | C14 | N15 | C16 | 128.6° | 60.0° |
| C10 | C14 | N15 | C30 | 3.4° | 63.3° |
| C14 | C10 | C09 | H091 | 180.0° | 180.0° |
| C11 | C12 | O13 | C14 | 179.2° | 179.5° |
| C11 | C12 | C14 | N15 | 179.7° | 179.4° |
| C11 | C12 | O13 | H131 | 180.0° | 90.0° |
| O13 | C12 | C14 | N15 | 0.5° | 0.0° |
| O13 | C12 | C11 | H111 | 0.8° | 0.3° |
| C12 | C14 | N15 | C16 | 51.2° | 120.0° |
| C12 | C14 | N15 | C30 | 176.8° | 116.7° |
| C12 | C14 | C10 | H101 | 179.5° | 179.9° |
| C14 | C12 | C11 | H111 | 180.0° | 179.8° |
| C14 | C12 | O13 | H131 | 0.8° | 89.5° |
| C14 | N15 | C16 | C30 | 138.4° | 123.6° |
| C14 | N15 | C16 | C17 | 154.2° | 170.1° |
| C14 | N15 | C30 | C31 | 177.9° | 175.7° |
| N15 | C14 | C10 | H101 | 0.3° | 0.0° |
| C14 | N15 | C16 | H161 | 85.3° | 50.3° |
| C14 | N15 | C16 | H162 | 33.5° | 70.2° |
| C14 | N15 | C30 | H301 | 60.9° | 55.4° |
| C14 | N15 | C30 | H302 | 56.7° | 64.1° |
| N15 | C16 | C17 | H161 | 120.6° | 119.7° |
| N15 | C16 | C17 | H162 | 120.6° | 119.7° |
| N15 | C16 | C17 | C18 | 163.2° | 178.1° |
| N15 | C16 | C17 | C19 | 53.0° | 85.0° |
| N15 | C16 | C17 | N29 | 60.9° | 46.5° |
| C16 | N15 | C30 | C31 | 38.8° | 52.0° |
| N15 | C16 | H161 | H162 | 118.2° | 120.5° |
| C16 | N15 | C30 | H301 | 160.0° | 68.3° |
| C16 | N15 | C30 | H302 | 82.4° | 172.3° |
| C30 | N15 | C16 | C17 | 67.5° | 66.3° |
| N15 | C30 | C31 | N29 | 6.8° | 19.7° |
| N15 | C30 | C31 | H301 | 121.2° | 120.3° |
| N15 | C30 | C31 | H302 | 121.2° | 120.3° |
| N15 | C30 | C31 | O32 | 172.1° | 160.4° |
| C30 | N15 | C16 | H161 | 53.1° | 174.0° |
| C30 | N15 | C16 | H162 | 171.9° | 53.4° |
| N15 | C30 | H301 | H302 | 116.2° | 119.4° |
| C16 | C17 | C18 | C19 | 122.0° | 114.2° |
| C16 | C17 | C18 | N29 | 135.9° | 131.3° |
| C16 | C17 | C19 | N29 | 116.1° | 131.2° |
| C16 | C17 | C18 | N20 | 117.8° | 90.7° |
| C16 | C17 | C19 | N20 | 133.4° | 90.8° |
| C16 | C17 | N29 | C31 | 22.7° | 15.5° |
| C17 | C16 | H161 | H162 | 118.2° | 120.6° |
| C16 | C17 | C18 | H181 | 125.3° | 154.9° |
| C16 | C17 | C18 | H182 | 0.9° | 23.6° |
| C16 | C17 | C19 | H191 | 16.2° | 23.5° |
| C16 | C17 | C19 | H192 | 109.4° | 154.9° |
| C16 | C17 | N29 | H291 | 157.2° | 164.5° |
| C18 | C17 | C19 | N29 | 106.3° | 114.6° |
| C17 | C18 | N20 | H181 | 116.9° | 114.3° |
| C17 | C18 | N20 | H182 | 116.9° | 114.3° |
| C18 | C17 | C19 | N20 | 4.2° | 23.5° |
| C17 | C18 | N20 | C21 | 167.8° | 137.3° |
| C18 | C17 | N29 | C31 | 171.3° | 147.0° |
| C18 | C17 | C16 | H161 | 76.2° | 62.2° |
| C18 | C17 | C16 | H162 | 42.6° | 58.4° |
| C17 | C18 | H181 | H182 | 128.3° | 131.7° |
| C18 | C17 | C19 | H191 | 121.4° | 137.8° |
| C18 | C17 | C19 | H192 | 113.0° | 90.8° |
| C18 | C17 | N29 | H291 | 8.6° | 33.0° |
| C17 | C19 | N20 | H191 | 117.2° | 114.3° |
| C17 | C19 | N20 | H192 | 117.2° | 114.3° |
| C17 | C19 | N20 | C21 | 167.3° | 137.3° |
| C19 | C17 | N29 | C31 | 99.5° | 115.9° |
| C19 | C17 | C16 | H161 | 173.6° | 34.7° |
| C19 | C17 | C16 | H162 | 67.6° | 155.3° |
| C19 | C17 | C18 | H181 | 112.7° | 90.9° |
| C19 | C17 | C18 | H182 | 121.1° | 137.8° |
| C17 | C19 | H191 | H192 | 127.6° | 131.7° |
| C19 | C17 | N29 | H291 | 80.5° | 64.2° |
| N29 | C17 | C18 | N20 | 106.3° | 138.0° |
| N29 | C17 | C19 | N20 | 110.5° | 138.1° |
| C17 | N29 | C31 | H291 | 180.0° | 180.0° |
| C17 | N29 | C31 | C30 | 1.3° | 1.8° |
| C17 | N29 | C31 | O32 | 179.7° | 178.3° |
| N29 | C17 | C16 | H161 | 59.7° | 166.2° |
| N29 | C17 | C16 | H162 | 178.5° | 73.3° |
| N29 | C17 | C18 | H181 | 10.6° | 23.7° |
| N29 | C17 | C18 | H182 | 136.8° | 107.6° |
| N29 | C17 | C19 | H191 | 132.3° | 107.6° |
| N29 | C17 | C19 | H192 | 6.7° | 23.8° |
| C18 | N20 | C19 | C21 | 163.0° | 112.9° |
| C18 | N20 | C21 | C28 | 156.8° | 180.0° |
| C18 | N20 | C21 | N22 | 22.7° | 0.2° |
| N20 | C18 | H181 | H182 | 128.4° | 131.8° |
| C18 | N20 | C19 | H191 | 121.6° | 138.6° |
| C18 | N20 | C19 | H192 | 112.8° | 89.9° |
| C19 | N20 | C21 | C28 | 0.5° | 80.5° |
| C19 | N20 | C21 | N22 | 179.0° | 99.7° |
| C19 | N20 | C18 | H181 | 112.7° | 89.9° |
| C19 | N20 | C18 | H182 | 121.2° | 138.7° |
| N20 | C19 | H191 | H192 | 127.6° | 131.8° |
| N20 | C21 | C28 | N22 | 179.5° | 179.8° |
| N20 | C21 | N22 | C23 | 179.8° | 179.7° |
| N20 | C21 | C28 | C25 | 179.9° | 179.7° |
| N20 | C21 | C28 | H281 | 0.1° | 0.3° |
| C21 | N20 | C18 | H181 | 50.9° | 23.0° |
| C21 | N20 | C18 | H182 | 75.3° | 108.4° |
| C21 | N20 | C19 | H191 | 75.4° | 108.4° |
| C21 | N20 | C19 | H192 | 50.2° | 23.1° |
| C28 | C21 | N22 | C23 | 0.7° | 0.1° |
| C21 | C28 | C25 | N24 | 0.0° | 0.0° |
| C21 | C28 | C25 | N26 | 179.7° | 180.0° |
| C21 | C28 | C25 | H281 | 180.0° | 180.0° |
| C21 | N22 | C23 | N24 | 0.7° | 0.1° |
| N22 | C21 | C28 | C25 | 0.4° | 0.0° |
| N22 | C21 | C28 | H281 | 179.6° | 180.0° |
| C21 | N22 | C23 | H231 | 179.3° | 180.0° |
| N22 | C23 | N24 | H231 | 180.0° | 179.9° |
| N22 | C23 | N24 | C25 | 0.3° | 0.0° |
| C23 | N24 | C25 | N26 | 179.6° | 180.0° |
| C23 | N24 | C25 | C28 | 0.1° | 0.0° |
| N24 | C25 | N26 | C28 | 179.6° | 180.0° |
| N24 | C25 | N26 | C27 | 108.3° | 180.0° |
| N24 | C25 | C28 | H281 | 180.0° | 180.0° |
| C25 | N24 | C23 | H231 | 179.7° | 180.0° |
| N24 | C25 | N26 | H261 | 14.2° | 0.0° |
| C25 | N26 | C27 | H261 | 122.5° | 180.0° |
| N26 | C25 | C28 | H281 | 0.3° | 0.0° |
| C25 | N26 | C27 | H271 | 180.0° | 180.0° |
| C25 | N26 | C27 | H272 | 60.0° | 60.0° |
| C25 | N26 | C27 | H273 | 60.0° | 60.1° |
| C28 | C25 | N26 | C27 | 71.4° | 0.0° |
| C28 | C25 | N26 | H261 | 166.2° | 180.0° |
| N26 | C27 | H271 | H272 | 120.0° | 120.0° |
| N26 | C27 | H271 | H273 | 120.0° | 120.0° |
| N26 | C27 | H272 | H273 | 120.0° | 120.0° |
| N29 | C31 | C30 | O32 | 178.9° | 180.0° |
| N29 | C31 | C30 | H301 | 128.0° | 100.6° |
| N29 | C31 | C30 | H302 | 114.4° | 140.0° |
| C31 | C30 | H301 | H302 | 116.2° | 119.4° |
| C30 | C31 | N29 | H291 | 178.7° | 178.2° |
| O32 | C31 | C30 | H301 | 50.9° | 79.3° |
| O32 | C31 | C30 | H302 | 66.7° | 40.1° |
| O32 | C31 | N29 | H291 | 0.2° | 1.8° |
| C34 | C33 | H331 | H332 | 118.0° | 120.0° |
| C33 | C34 | H341 | H342 | 118.9° | 120.1° |
| H101 | C10 | C09 | H091 | 0.0° | 0.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 52.2° | 59.3° |
| H041 | C04 | C05 | H052 | 170.7° | 179.2° |
| H042 | C04 | C05 | H051 | 67.1° | 60.9° |
| H042 | C04 | C05 | H052 | 51.3° | 59.1° |
| H271 | C27 | H272 | H273 | 119.9° | 120.0° |
| H271 | C27 | N26 | H261 | 57.5° | 0.0° |
| H272 | C27 | N26 | H261 | 177.6° | 119.9° |
| H273 | C27 | N26 | H261 | 62.4° | 120.0° |
| H331 | C33 | C34 | H341 | 63.6° | 59.1° |
| H331 | C33 | C34 | H342 | 55.7° | 179.3° |
| H332 | C33 | C34 | H341 | 55.1° | 60.9° |
| H332 | C33 | C34 | H342 | 174.4° | 59.2° |
