7KJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | O32 | sing | 1.21Å | 1.38Å | Aromatic |
| N31 | C30 | doub | 1.30Å | 1.33Å | Aromatic |
| O32 | C33 | sing | 1.34Å | 1.34Å | Aromatic |
| C30 | C35 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.41Å | 1.37Å | Aromatic |
| C33 | C29 | doub | 1.35Å | 1.36Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | N27 | sing | 1.47Å | 1.47Å | |
| N27 | C24 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C23 | C21 | sing | 1.52Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C26 | C20 | sing | 1.52Å | 1.55Å | |
| C21 | C20 | doub | 1.33Å | 1.49Å | Aromatic |
| C21 | S22 | sing | 1.76Å | 1.57Å | Aromatic |
| C20 | C17 | sing | 1.46Å | 1.61Å | Aromatic |
| S22 | C18 | sing | 1.76Å | 1.60Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.46Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.50Å | |
| C18 | N19 | sing | 1.35Å | 1.48Å | |
| O36 | C16 | doub | 1.22Å | 1.18Å | |
| C16 | N15 | sing | 1.35Å | 1.45Å | |
| N19 | C12 | doub | 1.30Å | 1.48Å | |
| N15 | C12 | sing | 1.36Å | 1.48Å | |
| N15 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | C07 | sing | 1.51Å | 1.54Å | |
| C08 | C07 | doub | 1.36Å | 1.53Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.53Å | Aromatic |
| C07 | C05 | sing | 1.41Å | 1.55Å | Aromatic |
| C09 | C10 | doub | 1.37Å | 1.53Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.54Å | Aromatic |
| C05 | C06 | sing | 1.42Å | 1.51Å | Aromatic |
| C10 | C06 | sing | 1.41Å | 1.55Å | Aromatic |
| C10 | O13 | sing | 1.36Å | 1.40Å | |
| C04 | C03 | sing | 1.36Å | 1.54Å | Aromatic |
| C06 | C01 | doub | 1.40Å | 1.55Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | doub | 1.39Å | 1.54Å | Aromatic |
| C01 | C02 | sing | 1.36Å | 1.54Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| N27 | H272 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | N31 | C30 | 108.1° | 111.6° |
| N31 | O32 | C33 | 108.0° | 111.5° |
| N31 | C30 | C35 | 126.0° | 126.8° |
| N31 | C30 | C29 | 107.9° | 106.4° |
| O32 | C33 | C29 | 108.0° | 106.5° |
| O32 | C33 | C34 | 126.2° | 126.7° |
| C35 | C30 | C29 | 126.1° | 126.8° |
| C30 | C35 | H352 | 109.5° | 109.5° |
| C30 | C35 | H351 | 109.5° | 109.5° |
| C30 | C35 | H353 | 109.5° | 109.5° |
| C30 | C29 | C33 | 108.0° | 104.0° |
| C30 | C29 | C28 | 126.6° | 128.0° |
| C29 | C33 | C34 | 125.8° | 126.8° |
| C33 | C29 | C28 | 125.4° | 128.0° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H343 | 109.4° | 109.5° |
| C33 | C34 | H342 | 109.4° | 109.4° |
| C29 | C28 | N27 | 110.5° | 109.5° |
| C29 | C28 | H282 | 109.2° | 109.5° |
| C29 | C28 | H281 | 109.2° | 109.5° |
| C28 | N27 | C24 | 109.2° | 111.0° |
| N27 | C28 | H282 | 109.2° | 109.5° |
| N27 | C28 | H281 | 109.2° | 109.5° |
| C28 | N27 | H272 | 109.6° | 111.0° |
| N27 | C24 | C23 | 110.6° | 109.5° |
| N27 | C24 | C25 | 109.3° | 109.6° |
| N27 | C24 | H241 | 109.0° | 109.7° |
| C24 | N27 | H272 | 109.5° | 111.0° |
| C23 | C24 | C25 | 111.5° | 109.0° |
| C24 | C23 | C21 | 115.6° | 108.7° |
| C24 | C23 | H232 | 107.9° | 109.6° |
| C24 | C23 | H231 | 107.9° | 109.7° |
| C23 | C24 | H241 | 108.4° | 109.5° |
| C24 | C25 | C26 | 111.7° | 109.1° |
| C25 | C24 | H241 | 107.9° | 109.6° |
| C24 | C25 | H252 | 108.9° | 109.6° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| C23 | C21 | C20 | 116.0° | 124.4° |
| C23 | C21 | S22 | 135.8° | 124.4° |
| C21 | C23 | H232 | 107.9° | 109.6° |
| C21 | C23 | H231 | 108.0° | 109.6° |
| C25 | C26 | C20 | 117.7° | 108.9° |
| C26 | C25 | H252 | 108.9° | 109.5° |
| C26 | C25 | H251 | 108.9° | 109.5° |
| C25 | C26 | H262 | 107.4° | 109.6° |
| C25 | C26 | H261 | 107.4° | 109.6° |
| C26 | C20 | C21 | 121.5° | 123.3° |
| C26 | C20 | C17 | 130.4° | 122.8° |
| C20 | C26 | H262 | 107.4° | 109.6° |
| C20 | C26 | H261 | 107.4° | 109.5° |
| C20 | C21 | S22 | 108.1° | 111.2° |
| C21 | C20 | C17 | 108.1° | 113.9° |
| C21 | S22 | C18 | 106.7° | 92.4° |
| C20 | C17 | C18 | 108.9° | 112.8° |
| C20 | C17 | C16 | 130.0° | 129.2° |
| S22 | C18 | C17 | 108.2° | 109.6° |
| S22 | C18 | N19 | 132.6° | 130.8° |
| C18 | C17 | C16 | 121.1° | 117.9° |
| C17 | C18 | N19 | 119.3° | 119.5° |
| C17 | C16 | O36 | 120.1° | 120.7° |
| C17 | C16 | N15 | 119.3° | 118.7° |
| C18 | N19 | C12 | 120.2° | 121.7° |
| O36 | C16 | N15 | 120.6° | 120.7° |
| C16 | N15 | C12 | 120.1° | 120.3° |
| C16 | N15 | C11 | 118.2° | 119.9° |
| N19 | C12 | N15 | 120.0° | 121.9° |
| N19 | C12 | H121 | 120.0° | 119.0° |
| C12 | N15 | C11 | 121.7° | 119.8° |
| N15 | C12 | H121 | 120.0° | 119.1° |
| N15 | C11 | C07 | 104.7° | 109.5° |
| N15 | C11 | H111 | 110.6° | 109.4° |
| N15 | C11 | H112 | 110.7° | 109.5° |
| C11 | C07 | C08 | 120.0° | 120.1° |
| C11 | C07 | C05 | 120.7° | 120.1° |
| C07 | C11 | H111 | 110.7° | 109.5° |
| C07 | C11 | H112 | 110.6° | 109.5° |
| C07 | C08 | C09 | 120.8° | 121.0° |
| C08 | C07 | C05 | 119.3° | 119.8° |
| C07 | C08 | H081 | 119.6° | 119.5° |
| C08 | C09 | C10 | 119.9° | 120.9° |
| C09 | C08 | H081 | 119.6° | 119.5° |
| C08 | C09 | H091 | 120.0° | 119.5° |
| C07 | C05 | C04 | 119.0° | 121.3° |
| C07 | C05 | C06 | 120.1° | 119.4° |
| C09 | C10 | C06 | 119.4° | 119.6° |
| C09 | C10 | O13 | 121.4° | 120.2° |
| C10 | C09 | H091 | 120.0° | 119.6° |
| C04 | C05 | C06 | 120.9° | 119.3° |
| C05 | C04 | C03 | 119.7° | 119.6° |
| C05 | C04 | H041 | 120.2° | 120.2° |
| C05 | C06 | C10 | 120.6° | 119.3° |
| C05 | C06 | C01 | 119.9° | 119.4° |
| C06 | C10 | O13 | 119.2° | 120.2° |
| C10 | C06 | C01 | 119.5° | 121.3° |
| C10 | O13 | C14 | 119.6° | 117.0° |
| C04 | C03 | C02 | 119.8° | 121.0° |
| C04 | C03 | H031 | 120.1° | 119.5° |
| C03 | C04 | H041 | 120.2° | 120.2° |
| C06 | C01 | C02 | 119.9° | 119.6° |
| C06 | C01 | H011 | 120.0° | 120.2° |
| O13 | C14 | H143 | 109.5° | 109.4° |
| O13 | C14 | H141 | 109.5° | 109.5° |
| O13 | C14 | H142 | 109.5° | 109.5° |
| C03 | C02 | C01 | 119.8° | 121.0° |
| C03 | C02 | H021 | 120.1° | 119.5° |
| C02 | C03 | H031 | 120.1° | 119.5° |
| C02 | C01 | H011 | 120.1° | 120.2° |
| C01 | C02 | H021 | 120.1° | 119.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.6° |
| H252 | C25 | H251 | 109.4° | 109.6° |
| H262 | C26 | H261 | 109.4° | 109.6° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H343 | C34 | H342 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.4° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | N31 | C30 | C35 | 179.9° | 179.8° |
| O32 | N31 | C30 | C29 | 0.2° | 0.1° |
| N31 | O32 | C33 | C29 | 0.1° | 0.1° |
| N31 | O32 | C33 | C34 | 180.0° | 179.9° |
| C30 | N31 | O32 | C33 | 0.0° | 0.0° |
| N31 | C30 | C35 | C29 | 179.9° | 180.0° |
| N31 | C30 | C29 | C33 | 0.2° | 0.2° |
| N31 | C30 | C29 | C28 | 179.8° | 180.0° |
| N31 | C30 | C35 | H352 | 0.0° | 90.0° |
| N31 | C30 | C35 | H351 | 120.0° | 30.0° |
| N31 | C30 | C35 | H353 | 120.0° | 150.0° |
| O32 | C33 | C29 | C30 | 0.2° | 0.2° |
| O32 | C33 | C29 | C34 | 179.8° | 179.9° |
| O32 | C33 | C29 | C28 | 179.8° | 180.0° |
| O32 | C33 | C34 | H341 | 0.0° | 90.0° |
| O32 | C33 | C34 | H343 | 120.0° | 30.1° |
| O32 | C33 | C34 | H342 | 120.0° | 150.0° |
| C35 | C30 | C29 | C33 | 179.8° | 179.8° |
| C35 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C35 | H352 | H351 | 120.0° | 120.0° |
| C30 | C35 | H352 | H353 | 120.0° | 120.0° |
| C30 | C35 | H351 | H353 | 120.0° | 120.0° |
| C30 | C29 | C33 | C28 | 179.6° | 179.8° |
| C30 | C29 | C33 | C34 | 179.9° | 179.8° |
| C30 | C29 | C28 | N27 | 90.5° | 90.0° |
| C30 | C29 | C28 | H282 | 149.3° | 150.0° |
| C30 | C29 | C28 | H281 | 29.6° | 30.1° |
| C29 | C30 | C35 | H352 | 179.9° | 90.0° |
| C29 | C30 | C35 | H351 | 59.9° | 150.1° |
| C29 | C30 | C35 | H353 | 60.1° | 30.0° |
| C33 | C29 | C28 | N27 | 90.0° | 90.3° |
| C33 | C29 | C28 | H282 | 30.1° | 29.7° |
| C33 | C29 | C28 | H281 | 149.9° | 149.7° |
| C29 | C33 | C34 | H341 | 179.8° | 89.9° |
| C29 | C33 | C34 | H343 | 60.2° | 150.0° |
| C29 | C33 | C34 | H342 | 59.8° | 30.0° |
| C34 | C33 | C29 | C28 | 0.3° | 0.1° |
| C33 | C34 | H341 | H343 | 120.0° | 120.1° |
| C33 | C34 | H341 | H342 | 120.0° | 119.9° |
| C33 | C34 | H343 | H342 | 119.9° | 120.0° |
| C29 | C28 | N27 | H282 | 120.2° | 120.0° |
| C29 | C28 | N27 | H281 | 120.2° | 120.0° |
| C29 | C28 | N27 | C24 | 172.8° | 180.0° |
| C29 | C28 | H282 | H281 | 119.6° | 120.0° |
| C29 | C28 | N27 | H272 | 52.9° | 56.1° |
| C28 | N27 | C24 | H272 | 120.0° | 124.0° |
| C28 | N27 | C24 | C23 | 165.8° | 85.0° |
| C28 | N27 | C24 | C25 | 71.0° | 155.5° |
| C28 | N27 | C24 | H241 | 46.7° | 35.2° |
| N27 | C28 | H282 | H281 | 119.5° | 120.0° |
| N27 | C24 | C23 | C25 | 121.9° | 119.8° |
| N27 | C24 | C23 | H241 | 119.4° | 120.3° |
| N27 | C24 | C25 | H241 | 118.4° | 120.4° |
| N27 | C24 | C23 | C21 | 175.3° | 169.9° |
| N27 | C24 | C25 | C26 | 179.9° | 169.8° |
| N27 | C24 | C23 | H232 | 63.8° | 50.1° |
| N27 | C24 | C23 | H231 | 54.4° | 70.3° |
| N27 | C24 | C25 | H252 | 59.7° | 70.4° |
| N27 | C24 | C25 | H251 | 59.6° | 49.9° |
| C24 | N27 | C28 | H282 | 67.0° | 60.0° |
| C24 | N27 | C28 | H281 | 52.7° | 60.0° |
| C23 | C24 | C25 | H241 | 119.0° | 119.9° |
| C24 | C23 | C21 | H232 | 120.9° | 119.8° |
| C24 | C23 | C21 | H231 | 120.9° | 119.9° |
| C23 | C24 | C25 | C26 | 57.4° | 70.4° |
| C24 | C23 | C21 | C20 | 24.1° | 16.7° |
| C24 | C23 | C21 | S22 | 155.3° | 163.0° |
| C24 | C23 | H232 | H231 | 117.2° | 120.4° |
| C23 | C24 | C25 | H252 | 62.9° | 49.4° |
| C23 | C24 | C25 | H251 | 177.8° | 169.7° |
| C23 | C24 | N27 | H272 | 45.9° | 39.0° |
| C25 | C24 | C23 | C21 | 53.4° | 50.1° |
| C24 | C25 | C26 | H252 | 120.4° | 119.9° |
| C24 | C25 | C26 | H251 | 120.4° | 119.9° |
| C24 | C25 | C26 | C20 | 33.3° | 50.8° |
| C25 | C24 | C23 | H232 | 174.3° | 69.7° |
| C25 | C24 | C23 | H231 | 67.5° | 169.8° |
| C24 | C25 | H252 | H251 | 119.0° | 120.2° |
| C24 | C25 | C26 | H262 | 154.4° | 69.0° |
| C24 | C25 | C26 | H261 | 88.0° | 170.6° |
| C25 | C24 | N27 | H272 | 169.0° | 80.5° |
| C23 | C21 | C20 | C26 | 0.6° | 0.1° |
| C23 | C21 | C20 | S22 | 179.5° | 179.8° |
| C23 | C21 | C20 | C17 | 179.7° | 179.9° |
| C23 | C21 | S22 | C18 | 179.4° | 179.9° |
| C21 | C23 | H232 | H231 | 117.2° | 120.3° |
| C21 | C23 | C24 | H241 | 65.3° | 69.8° |
| C25 | C26 | C20 | H262 | 121.2° | 119.9° |
| C25 | C26 | C20 | H261 | 121.2° | 119.8° |
| C25 | C26 | C20 | C21 | 4.9° | 17.3° |
| C25 | C26 | C20 | C17 | 174.7° | 162.7° |
| C26 | C25 | C24 | H241 | 61.5° | 49.4° |
| C26 | C25 | H252 | H251 | 118.9° | 120.1° |
| C25 | C26 | H262 | H261 | 116.3° | 120.3° |
| C26 | C20 | C21 | C17 | 179.7° | 180.0° |
| C26 | C20 | C21 | S22 | 179.9° | 179.7° |
| C26 | C20 | C17 | C18 | 180.0° | 179.9° |
| C26 | C20 | C17 | C16 | 0.1° | 0.4° |
| C20 | C26 | C25 | H252 | 87.1° | 69.1° |
| C20 | C26 | C25 | H251 | 153.6° | 170.7° |
| C20 | C26 | H262 | H261 | 116.3° | 120.3° |
| C20 | C21 | S22 | C18 | 0.0° | 0.4° |
| C21 | C20 | C17 | C18 | 0.3° | 0.1° |
| C21 | C20 | C17 | C16 | 179.7° | 179.6° |
| C20 | C21 | C23 | H232 | 145.0° | 103.1° |
| C20 | C21 | C23 | H231 | 96.8° | 136.6° |
| C21 | C20 | C26 | H262 | 126.1° | 102.6° |
| C21 | C20 | C26 | H261 | 116.3° | 137.1° |
| S22 | C21 | C20 | C17 | 0.2° | 0.3° |
| C21 | S22 | C18 | C17 | 0.2° | 0.3° |
| C21 | S22 | C18 | N19 | 180.0° | 179.9° |
| S22 | C21 | C23 | H232 | 34.4° | 77.2° |
| S22 | C21 | C23 | H231 | 83.8° | 43.2° |
| C20 | C17 | C18 | S22 | 0.3° | 0.2° |
| C20 | C17 | C18 | C16 | 179.9° | 179.7° |
| C20 | C17 | C18 | N19 | 179.9° | 180.0° |
| C20 | C17 | C16 | O36 | 0.0° | 0.1° |
| C20 | C17 | C16 | N15 | 179.4° | 179.9° |
| C17 | C20 | C26 | H262 | 53.5° | 77.4° |
| C17 | C20 | C26 | H261 | 64.1° | 42.9° |
| S22 | C18 | C17 | N19 | 179.8° | 179.8° |
| S22 | C18 | C17 | C16 | 179.7° | 180.0° |
| S22 | C18 | N19 | C12 | 180.0° | 179.7° |
| C18 | C17 | C16 | O36 | 180.0° | 179.8° |
| C18 | C17 | C16 | N15 | 0.5° | 0.3° |
| C17 | C18 | N19 | C12 | 0.3° | 0.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.2° |
| C17 | C16 | O36 | N15 | 179.4° | 180.0° |
| C17 | C16 | N15 | C12 | 0.6° | 0.0° |
| C17 | C16 | N15 | C11 | 178.7° | 180.0° |
| C18 | N19 | C12 | N15 | 0.1° | 0.3° |
| C18 | N19 | C12 | H121 | 179.9° | 180.0° |
| O36 | C16 | N15 | C12 | 179.9° | 180.0° |
| O36 | C16 | N15 | C11 | 1.8° | 0.0° |
| C16 | N15 | C12 | N19 | 0.3° | 0.3° |
| C16 | N15 | C12 | C11 | 178.0° | 180.0° |
| C16 | N15 | C11 | C07 | 90.5° | 94.4° |
| C16 | N15 | C11 | H111 | 28.7° | 25.6° |
| C16 | N15 | C11 | H112 | 150.3° | 145.6° |
| C16 | N15 | C12 | H121 | 179.7° | 180.0° |
| N19 | C12 | N15 | H121 | 180.0° | 179.7° |
| N19 | C12 | N15 | C11 | 178.3° | 179.7° |
| C12 | N15 | C11 | C07 | 87.5° | 85.7° |
| C12 | N15 | C11 | H111 | 153.2° | 154.4° |
| C12 | N15 | C11 | H112 | 31.7° | 34.4° |
| N15 | C11 | C07 | H111 | 119.2° | 120.0° |
| N15 | C11 | C07 | H112 | 119.3° | 120.0° |
| N15 | C11 | C07 | C08 | 13.7° | 5.7° |
| N15 | C11 | C07 | C05 | 166.1° | 174.4° |
| N15 | C11 | H111 | H112 | 122.3° | 120.0° |
| C11 | N15 | C12 | H121 | 1.7° | 0.0° |
| C11 | C07 | C08 | C05 | 179.8° | 179.9° |
| C11 | C07 | C08 | C09 | 180.0° | 180.0° |
| C11 | C07 | C05 | C04 | 0.1° | 0.1° |
| C11 | C07 | C05 | C06 | 179.9° | 179.7° |
| C11 | C07 | C08 | H081 | 0.0° | 0.0° |
| C07 | C11 | H111 | H112 | 122.2° | 120.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.2° |
| C08 | C07 | C05 | C04 | 179.9° | 180.0° |
| C08 | C07 | C05 | C06 | 0.4° | 0.3° |
| C07 | C08 | C09 | H091 | 179.7° | 180.0° |
| C08 | C07 | C11 | H111 | 132.9° | 114.3° |
| C08 | C07 | C11 | H112 | 105.6° | 125.7° |
| C09 | C08 | C07 | C05 | 0.3° | 0.1° |
| C08 | C09 | C10 | H091 | 180.0° | 179.8° |
| C08 | C09 | C10 | C06 | 0.6° | 0.2° |
| C08 | C09 | C10 | O13 | 179.8° | 180.0° |
| C07 | C05 | C04 | C06 | 179.8° | 179.7° |
| C07 | C05 | C06 | C10 | 0.0° | 0.3° |
| C07 | C05 | C04 | C03 | 179.8° | 180.0° |
| C07 | C05 | C06 | C01 | 179.8° | 179.8° |
| C07 | C05 | C04 | H041 | 0.2° | 0.1° |
| C05 | C07 | C08 | H081 | 179.7° | 180.0° |
| C05 | C07 | C11 | H111 | 46.9° | 65.6° |
| C05 | C07 | C11 | H112 | 74.6° | 54.4° |
| C09 | C10 | C06 | C05 | 0.5° | 0.0° |
| C09 | C10 | C06 | O13 | 179.3° | 179.7° |
| C09 | C10 | C06 | C01 | 179.7° | 179.5° |
| C09 | C10 | O13 | C14 | 28.5° | 0.1° |
| C10 | C09 | C08 | H081 | 179.8° | 179.8° |
| C04 | C05 | C06 | C10 | 179.8° | 180.0° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 0.1° | 0.6° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H031 | 180.0° | 179.9° |
| C05 | C06 | C10 | C01 | 179.8° | 179.5° |
| C05 | C06 | C10 | O13 | 179.8° | 179.7° |
| C06 | C05 | C04 | C03 | 0.0° | 0.3° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.9° | 179.8° |
| C06 | C10 | O13 | C14 | 152.3° | 179.8° |
| C10 | C06 | C01 | C02 | 179.8° | 180.0° |
| C10 | C06 | C01 | H011 | 0.3° | 0.2° |
| C06 | C10 | C09 | H091 | 179.4° | 180.0° |
| O13 | C10 | C06 | C01 | 0.4° | 0.2° |
| O13 | C10 | C09 | H091 | 0.1° | 0.3° |
| C10 | O13 | C14 | H143 | 180.0° | 60.1° |
| C10 | O13 | C14 | H141 | 60.0° | 59.9° |
| C10 | O13 | C14 | H142 | 60.0° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.0° | 0.1° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.2° |
| C06 | C01 | C02 | H011 | 180.0° | 179.8° |
| C06 | C01 | C02 | H021 | 180.0° | 179.7° |
| O13 | C14 | H143 | H141 | 120.0° | 120.1° |
| O13 | C14 | H143 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 180.0° | 179.9° |
| C01 | C02 | C03 | H031 | 180.0° | 180.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.1° |
| H021 | C02 | C03 | H031 | 0.0° | 0.1° |
| H031 | C03 | C04 | H041 | 0.0° | 0.0° |
| H081 | C08 | C09 | H091 | 0.3° | 0.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H232 | C23 | C24 | H241 | 55.6° | 170.4° |
| H231 | C23 | C24 | H241 | 173.8° | 50.0° |
| H241 | C24 | C25 | H252 | 178.1° | 169.3° |
| H241 | C24 | C25 | H251 | 58.8° | 70.5° |
| H241 | C24 | N27 | H272 | 73.2° | 159.2° |
| H252 | C25 | C26 | H262 | 34.1° | 171.0° |
| H252 | C25 | C26 | H261 | 151.7° | 50.7° |
| H251 | C25 | C26 | H262 | 85.2° | 50.9° |
| H251 | C25 | C26 | H261 | 32.4° | 69.5° |
| H282 | C28 | N27 | H272 | 173.0° | 176.0° |
| H281 | C28 | N27 | H272 | 67.3° | 63.9° |
| H341 | C34 | H343 | H342 | 120.0° | 120.0° |
| H352 | C35 | H351 | H353 | 120.0° | 120.0° |
