3B5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| C27 | C25 | sing | 1.53Å | 1.52Å | |
| C35 | N33 | sing | 1.47Å | 1.35Å | |
| C32 | N33 | sing | 1.47Å | 1.50Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| O28 | C28 | doub | 1.22Å | 1.22Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | N29 | sing | 1.46Å | 1.46Å | |
| C28 | N29 | sing | 1.35Å | 1.28Å | |
| C28 | C23 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | doub | 1.35Å | 1.34Å | Aromatic |
| C24 | S22 | sing | 1.71Å | 1.67Å | Aromatic |
| C23 | N22 | sing | 1.34Å | 1.35Å | Aromatic |
| S22 | C22 | sing | 1.76Å | 1.69Å | Aromatic |
| N22 | C22 | doub | 1.30Å | 1.34Å | Aromatic |
| C22 | N21 | sing | 1.39Å | 1.28Å | |
| O20 | C20 | doub | 1.22Å | 1.22Å | |
| N21 | C20 | sing | 1.35Å | 1.28Å | |
| C20 | C17 | sing | 1.47Å | 1.52Å | |
| C19 | N19 | sing | 1.46Å | 1.46Å | |
| C17 | N19 | sing | 1.38Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| N19 | C18 | sing | 1.36Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.41Å | 1.36Å | |
| N14 | C13 | sing | 1.35Å | 1.28Å | |
| C13 | O13 | doub | 1.22Å | 1.22Å | |
| C13 | C10 | sing | 1.47Å | 1.52Å | |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | N12 | sing | 1.38Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N12 | C12 | sing | 1.46Å | 1.46Å | |
| N12 | C11 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.41Å | 1.35Å | |
| N7 | C6 | sing | 1.35Å | 1.28Å | |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| C6 | C4 | sing | 1.48Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N33 | H33 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N33 | C35 | 111.6° | 111.0° |
| C34 | N33 | C32 | 110.5° | 111.0° |
| N33 | C34 | H341 | 109.5° | 109.5° |
| N33 | C34 | H342 | 109.5° | 109.5° |
| N33 | C34 | H343 | 109.5° | 109.4° |
| C34 | N33 | H33 | 107.2° | 105.3° |
| C27 | C25 | C26 | 111.0° | 109.5° |
| C27 | C25 | C24 | 108.4° | 109.5° |
| C27 | C25 | H25 | 108.6° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C35 | N33 | C32 | 111.8° | 111.0° |
| N33 | C35 | H353 | 109.5° | 109.5° |
| N33 | C35 | H352 | 109.5° | 109.5° |
| N33 | C35 | H351 | 109.5° | 109.5° |
| C35 | N33 | H33 | 108.8° | 110.2° |
| N33 | C32 | C31 | 114.9° | 109.5° |
| N33 | C32 | H322 | 108.1° | 109.5° |
| N33 | C32 | H321 | 108.1° | 109.5° |
| C32 | N33 | H33 | 106.8° | 108.2° |
| C32 | C31 | C30 | 111.9° | 109.5° |
| C31 | C32 | H322 | 108.1° | 109.4° |
| C31 | C32 | H321 | 108.1° | 109.5° |
| C32 | C31 | H312 | 108.9° | 109.5° |
| C32 | C31 | H311 | 108.9° | 109.5° |
| O28 | C28 | N29 | 121.8° | 120.0° |
| O28 | C28 | C23 | 118.8° | 120.0° |
| C26 | C25 | C24 | 111.6° | 109.5° |
| C26 | C25 | H25 | 108.6° | 109.4° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| C25 | C24 | C23 | 129.9° | 125.5° |
| C25 | C24 | S22 | 123.3° | 125.4° |
| C24 | C25 | H25 | 108.6° | 109.5° |
| C31 | C30 | N29 | 112.2° | 109.5° |
| C30 | C31 | H312 | 108.9° | 109.5° |
| C30 | C31 | H311 | 108.9° | 109.5° |
| C31 | C30 | H302 | 108.8° | 109.5° |
| C31 | C30 | H301 | 108.8° | 109.5° |
| C30 | N29 | C28 | 114.7° | 120.0° |
| N29 | C30 | H302 | 108.8° | 109.5° |
| N29 | C30 | H301 | 108.8° | 109.4° |
| C30 | N29 | H29 | 122.7° | 120.0° |
| N29 | C28 | C23 | 119.4° | 119.9° |
| C28 | N29 | H29 | 122.6° | 120.0° |
| C28 | C23 | C24 | 123.9° | 122.4° |
| C28 | C23 | N22 | 119.1° | 122.5° |
| C23 | C24 | S22 | 106.8° | 109.2° |
| C24 | C23 | N22 | 117.0° | 115.1° |
| C24 | S22 | C22 | 94.6° | 90.7° |
| C23 | N22 | C22 | 112.0° | 115.6° |
| S22 | C22 | N22 | 108.8° | 109.5° |
| S22 | C22 | N21 | 126.4° | 125.3° |
| N22 | C22 | N21 | 124.8° | 125.2° |
| C22 | N21 | C20 | 124.5° | 120.0° |
| C22 | N21 | H21 | 117.7° | 120.0° |
| O20 | C20 | N21 | 121.9° | 120.0° |
| O20 | C20 | C17 | 115.3° | 120.0° |
| N21 | C20 | C17 | 122.9° | 120.0° |
| C20 | N21 | H21 | 117.8° | 120.0° |
| C20 | C17 | N19 | 124.5° | 126.1° |
| C20 | C17 | C16 | 127.4° | 126.1° |
| C19 | N19 | C17 | 126.0° | 125.7° |
| C19 | N19 | C18 | 124.4° | 125.6° |
| N19 | C19 | H193 | 109.5° | 109.5° |
| N19 | C19 | H192 | 109.4° | 109.5° |
| N19 | C19 | H191 | 109.5° | 109.5° |
| N19 | C17 | C16 | 108.0° | 107.7° |
| C17 | N19 | C18 | 109.2° | 108.7° |
| C17 | C16 | C15 | 107.3° | 107.1° |
| C17 | C16 | H16 | 126.3° | 126.5° |
| N19 | C18 | C15 | 109.0° | 108.8° |
| N19 | C18 | H18 | 125.5° | 125.6° |
| C16 | C15 | C18 | 105.9° | 107.7° |
| C16 | C15 | N14 | 124.8° | 126.1° |
| C15 | C16 | H16 | 126.4° | 126.4° |
| C18 | C15 | N14 | 129.2° | 126.2° |
| C15 | C18 | H18 | 125.5° | 125.6° |
| C15 | N14 | C13 | 124.9° | 120.0° |
| C15 | N14 | H14 | 117.6° | 120.0° |
| N14 | C13 | O13 | 121.6° | 120.0° |
| N14 | C13 | C10 | 122.6° | 120.0° |
| C13 | N14 | H14 | 117.5° | 120.0° |
| O13 | C13 | C10 | 115.7° | 120.0° |
| C13 | C10 | C9 | 127.1° | 126.2° |
| C13 | C10 | N12 | 124.9° | 126.1° |
| C9 | C10 | N12 | 108.0° | 107.7° |
| C10 | C9 | C8 | 107.3° | 107.1° |
| C10 | C9 | H9 | 126.4° | 126.4° |
| C10 | N12 | C12 | 125.7° | 125.7° |
| C10 | N12 | C11 | 109.6° | 108.7° |
| C9 | C8 | C11 | 106.5° | 107.7° |
| C9 | C8 | N7 | 124.5° | 126.1° |
| C8 | C9 | H9 | 126.4° | 126.4° |
| C12 | N12 | C11 | 124.3° | 125.6° |
| N12 | C12 | H123 | 109.5° | 109.5° |
| N12 | C12 | H121 | 109.5° | 109.5° |
| N12 | C12 | H122 | 109.5° | 109.5° |
| N12 | C11 | C8 | 108.6° | 108.8° |
| N12 | C11 | H11 | 125.7° | 125.6° |
| C11 | C8 | N7 | 129.0° | 126.2° |
| C8 | C11 | H11 | 125.7° | 125.6° |
| C8 | N7 | C6 | 124.6° | 120.0° |
| C8 | N7 | H7 | 117.7° | 120.0° |
| N7 | C6 | O6 | 121.8° | 120.0° |
| N7 | C6 | C4 | 121.3° | 120.0° |
| C6 | N7 | H7 | 117.7° | 120.0° |
| O6 | C6 | C4 | 116.8° | 120.0° |
| C6 | C4 | C5 | 122.2° | 120.6° |
| C6 | C4 | C3 | 119.6° | 120.6° |
| C4 | C5 | N1 | 120.9° | 120.5° |
| C5 | C4 | C3 | 118.2° | 118.9° |
| C4 | C5 | H5 | 119.5° | 119.7° |
| C5 | N1 | C1 | 121.6° | 121.9° |
| N1 | C5 | H5 | 119.5° | 119.8° |
| C4 | C3 | C2 | 119.9° | 118.3° |
| C4 | C3 | H3 | 120.0° | 120.8° |
| N1 | C1 | C2 | 120.1° | 121.1° |
| N1 | C1 | H1 | 120.0° | 119.5° |
| C3 | C2 | C1 | 119.2° | 119.3° |
| C2 | C3 | H3 | 120.1° | 120.9° |
| C3 | C2 | H2 | 120.4° | 120.4° |
| C2 | C1 | H1 | 119.9° | 119.5° |
| C1 | C2 | H2 | 120.4° | 120.3° |
| H123 | C12 | H121 | 109.4° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H273 | C27 | H271 | 109.4° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.4° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.4° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.4° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.4° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N33 | C35 | C32 | 124.3° | 123.9° |
| C34 | N33 | C35 | H33 | 118.0° | 116.2° |
| C34 | N33 | C32 | H33 | 116.2° | 115.1° |
| C34 | N33 | C32 | C31 | 175.1° | 170.0° |
| C34 | N33 | C32 | H322 | 64.1° | 50.1° |
| C34 | N33 | C32 | H321 | 54.3° | 70.0° |
| N33 | C34 | H341 | H342 | 120.0° | 120.0° |
| N33 | C34 | H341 | H343 | 120.0° | 119.9° |
| N33 | C34 | H342 | H343 | 120.0° | 119.9° |
| C34 | N33 | C35 | H353 | 180.0° | 176.0° |
| C34 | N33 | C35 | H352 | 60.0° | 56.0° |
| C34 | N33 | C35 | H351 | 60.0° | 64.0° |
| C27 | C25 | C26 | C24 | 121.0° | 120.1° |
| C27 | C25 | C26 | H25 | 119.3° | 120.0° |
| C27 | C25 | C24 | H25 | 117.8° | 120.0° |
| C27 | C25 | C24 | C23 | 77.3° | 114.4° |
| C27 | C25 | C24 | S22 | 100.4° | 65.8° |
| C25 | C27 | H273 | H271 | 120.0° | 120.1° |
| C25 | C27 | H273 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C27 | C25 | C26 | H263 | 180.0° | 60.0° |
| C27 | C25 | C26 | H261 | 60.0° | 59.9° |
| C27 | C25 | C26 | H262 | 60.0° | 180.0° |
| C35 | N33 | C32 | H33 | 118.9° | 121.0° |
| C35 | N33 | C32 | C31 | 60.0° | 66.1° |
| C35 | N33 | C32 | H322 | 60.9° | 174.0° |
| C35 | N33 | C32 | H321 | 179.3° | 53.9° |
| C35 | N33 | C34 | H341 | 180.0° | 64.0° |
| C35 | N33 | C34 | H342 | 60.0° | 56.1° |
| C35 | N33 | C34 | H343 | 60.0° | 176.0° |
| N33 | C35 | H353 | H352 | 120.0° | 120.0° |
| N33 | C35 | H353 | H351 | 120.0° | 120.0° |
| N33 | C35 | H352 | H351 | 120.0° | 120.0° |
| N33 | C32 | C31 | H322 | 120.8° | 120.0° |
| N33 | C32 | C31 | H321 | 120.8° | 120.0° |
| N33 | C32 | C31 | C30 | 163.8° | 180.0° |
| N33 | C32 | H322 | H321 | 117.5° | 120.1° |
| N33 | C32 | C31 | H312 | 43.4° | 60.0° |
| N33 | C32 | C31 | H311 | 75.9° | 60.0° |
| C32 | N33 | C34 | H341 | 55.0° | 60.0° |
| C32 | N33 | C34 | H342 | 65.0° | 180.0° |
| C32 | N33 | C34 | H343 | 175.0° | 60.0° |
| C32 | N33 | C35 | H353 | 55.7° | 60.1° |
| C32 | N33 | C35 | H352 | 175.7° | 180.0° |
| C32 | N33 | C35 | H351 | 64.3° | 59.9° |
| C32 | C31 | C30 | H312 | 120.3° | 120.0° |
| C32 | C31 | C30 | H311 | 120.4° | 120.0° |
| C32 | C31 | C30 | N29 | 171.7° | 180.0° |
| C31 | C32 | H322 | H321 | 117.5° | 120.0° |
| C32 | C31 | H312 | H311 | 118.9° | 120.0° |
| C32 | C31 | C30 | H302 | 67.9° | 60.0° |
| C32 | C31 | C30 | H301 | 51.3° | 60.0° |
| C31 | C32 | N33 | H33 | 58.9° | 55.0° |
| O28 | C28 | N29 | C30 | 9.0° | 0.0° |
| O28 | C28 | N29 | C23 | 178.6° | 179.9° |
| O28 | C28 | C23 | C24 | 15.5° | 5.8° |
| O28 | C28 | C23 | N22 | 166.3° | 174.3° |
| O28 | C28 | N29 | H29 | 171.0° | 179.9° |
| C26 | C25 | C24 | H25 | 119.7° | 119.9° |
| C26 | C25 | C24 | C23 | 160.3° | 125.6° |
| C26 | C25 | C24 | S22 | 22.0° | 54.3° |
| C26 | C25 | C27 | H273 | 180.0° | 180.0° |
| C26 | C25 | C27 | H271 | 60.0° | 59.9° |
| C26 | C25 | C27 | H272 | 60.0° | 60.1° |
| C25 | C26 | H263 | H261 | 120.0° | 120.0° |
| C25 | C26 | H263 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C24 | C23 | C28 | 2.7° | 0.1° |
| C25 | C24 | C23 | S22 | 178.0° | 179.9° |
| C25 | C24 | C23 | N22 | 179.1° | 180.0° |
| C25 | C24 | S22 | C22 | 175.3° | 179.9° |
| C24 | C25 | C27 | H273 | 57.1° | 60.0° |
| C24 | C25 | C27 | H271 | 62.9° | 180.0° |
| C24 | C25 | C27 | H272 | 177.2° | 60.0° |
| C24 | C25 | C26 | H263 | 59.0° | 60.1° |
| C24 | C25 | C26 | H261 | 179.1° | 180.0° |
| C24 | C25 | C26 | H262 | 61.0° | 60.0° |
| C31 | C30 | N29 | H302 | 120.4° | 120.0° |
| C31 | C30 | N29 | H301 | 120.4° | 120.0° |
| C31 | C30 | N29 | C28 | 90.7° | 180.0° |
| C30 | C31 | C32 | H322 | 75.4° | 60.0° |
| C30 | C31 | C32 | H321 | 43.0° | 60.0° |
| C30 | C31 | H312 | H311 | 118.9° | 120.0° |
| C31 | C30 | H302 | H301 | 118.8° | 120.0° |
| C31 | C30 | N29 | H29 | 89.3° | 0.0° |
| C30 | N29 | C28 | H29 | 180.0° | 180.0° |
| C30 | N29 | C28 | C23 | 169.7° | 180.0° |
| N29 | C30 | C31 | H312 | 51.3° | 60.0° |
| N29 | C30 | C31 | H311 | 68.0° | 60.0° |
| N29 | C30 | H302 | H301 | 118.7° | 120.0° |
| N29 | C28 | C23 | C24 | 163.2° | 174.3° |
| N29 | C28 | C23 | N22 | 15.0° | 5.6° |
| C28 | N29 | C30 | H302 | 29.7° | 60.0° |
| C28 | N29 | C30 | H301 | 148.9° | 60.0° |
| C28 | C23 | C24 | N22 | 178.2° | 179.9° |
| C28 | C23 | C24 | S22 | 175.3° | 179.8° |
| C28 | C23 | N22 | C22 | 169.2° | 180.0° |
| C23 | C28 | N29 | H29 | 10.4° | 0.0° |
| C23 | C24 | S22 | C22 | 2.9° | 0.2° |
| C24 | C23 | N22 | C22 | 9.1° | 0.1° |
| C23 | C24 | C25 | H25 | 40.5° | 5.7° |
| S22 | C24 | C23 | N22 | 2.9° | 0.1° |
| C24 | S22 | C22 | N22 | 7.8° | 0.2° |
| C24 | S22 | C22 | N21 | 172.4° | 180.0° |
| S22 | C24 | C25 | H25 | 141.7° | 174.2° |
| C23 | N22 | C22 | S22 | 10.5° | 0.2° |
| C23 | N22 | C22 | N21 | 169.7° | 179.9° |
| S22 | C22 | N22 | N21 | 179.8° | 179.7° |
| S22 | C22 | N21 | C20 | 2.5° | 179.8° |
| S22 | C22 | N21 | H21 | 177.4° | 0.3° |
| N22 | C22 | N21 | C20 | 177.7° | 0.1° |
| N22 | C22 | N21 | H21 | 2.3° | 180.0° |
| C22 | N21 | C20 | O20 | 4.6° | 5.0° |
| C22 | N21 | C20 | H21 | 180.0° | 179.9° |
| C22 | N21 | C20 | C17 | 174.1° | 174.9° |
| O20 | C20 | N21 | C17 | 178.7° | 179.9° |
| O20 | C20 | C17 | N19 | 12.9° | 5.1° |
| O20 | C20 | C17 | C16 | 164.3° | 174.8° |
| O20 | C20 | N21 | H21 | 175.4° | 174.9° |
| N21 | C20 | C17 | N19 | 168.4° | 174.8° |
| N21 | C20 | C17 | C16 | 14.4° | 5.3° |
| C20 | C17 | N19 | C19 | 16.2° | 0.0° |
| C20 | C17 | N19 | C16 | 177.7° | 180.0° |
| C20 | C17 | N19 | C18 | 170.8° | 180.0° |
| C20 | C17 | C16 | C15 | 171.5° | 179.8° |
| C17 | C20 | N21 | H21 | 5.9° | 5.2° |
| C20 | C17 | C16 | H16 | 8.5° | 0.1° |
| C19 | N19 | C17 | C18 | 173.0° | 180.0° |
| C19 | N19 | C17 | C16 | 166.1° | 180.0° |
| C19 | N19 | C18 | C15 | 168.1° | 179.8° |
| N19 | C19 | H193 | H192 | 120.0° | 120.0° |
| N19 | C19 | H193 | H191 | 120.0° | 120.0° |
| N19 | C19 | H192 | H191 | 120.0° | 120.0° |
| C19 | N19 | C18 | H18 | 11.8° | 0.1° |
| N19 | C17 | C16 | C15 | 6.1° | 0.2° |
| C17 | N19 | C18 | C15 | 5.0° | 0.2° |
| C17 | N19 | C19 | H193 | 180.0° | 94.7° |
| C17 | N19 | C19 | H192 | 60.0° | 145.3° |
| C17 | N19 | C19 | H191 | 60.0° | 25.3° |
| C17 | N19 | C18 | H18 | 175.1° | 179.9° |
| N19 | C17 | C16 | H16 | 173.9° | 179.9° |
| C16 | C17 | N19 | C18 | 6.9° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.7° |
| C17 | C16 | C15 | C18 | 3.0° | 0.3° |
| C17 | C16 | C15 | N14 | 176.4° | 180.0° |
| N19 | C18 | C15 | C16 | 1.1° | 0.3° |
| N19 | C18 | C15 | H18 | 180.0° | 179.9° |
| N19 | C18 | C15 | N14 | 179.6° | 180.0° |
| C18 | N19 | C19 | H193 | 8.1° | 85.3° |
| C18 | N19 | C19 | H192 | 128.0° | 34.6° |
| C18 | N19 | C19 | H191 | 111.9° | 154.6° |
| C16 | C15 | C18 | N14 | 179.3° | 179.6° |
| C16 | C15 | N14 | C13 | 169.6° | 0.4° |
| C16 | C15 | C18 | H18 | 178.9° | 179.8° |
| C16 | C15 | N14 | H14 | 10.4° | 179.6° |
| C18 | C15 | N14 | C13 | 11.2° | 180.0° |
| C18 | C15 | C16 | H16 | 177.0° | 180.0° |
| C18 | C15 | N14 | H14 | 168.8° | 0.0° |
| C15 | N14 | C13 | H14 | 180.0° | 180.0° |
| C15 | N14 | C13 | O13 | 1.1° | 5.4° |
| C15 | N14 | C13 | C10 | 178.7° | 174.6° |
| N14 | C15 | C18 | H18 | 0.4° | 0.1° |
| N14 | C15 | C16 | H16 | 3.7° | 0.3° |
| N14 | C13 | O13 | C10 | 179.8° | 180.0° |
| N14 | C13 | C10 | C9 | 8.9° | 5.2° |
| N14 | C13 | C10 | N12 | 171.8° | 174.4° |
| O13 | C13 | C10 | C9 | 170.9° | 174.8° |
| O13 | C13 | C10 | N12 | 8.4° | 5.6° |
| O13 | C13 | N14 | H14 | 178.9° | 174.6° |
| C13 | C10 | C9 | N12 | 179.4° | 179.7° |
| C13 | C10 | C9 | C8 | 177.2° | 179.7° |
| C13 | C10 | N12 | C12 | 12.1° | 0.3° |
| C13 | C10 | N12 | C11 | 175.5° | 179.7° |
| C10 | C13 | N14 | H14 | 1.3° | 5.4° |
| C13 | C10 | C9 | H9 | 2.8° | 0.3° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C10 | N12 | C12 | 168.5° | 180.0° |
| C9 | C10 | N12 | C11 | 3.9° | 0.0° |
| C10 | C9 | C8 | C11 | 0.3° | 0.0° |
| C10 | C9 | C8 | N7 | 179.2° | 179.9° |
| N12 | C10 | C9 | C8 | 2.2° | 0.1° |
| C10 | N12 | C12 | C11 | 171.4° | 179.9° |
| C10 | N12 | C11 | C8 | 4.2° | 0.0° |
| C10 | N12 | C11 | H11 | 175.8° | 180.0° |
| C10 | N12 | C12 | H123 | 180.0° | 94.6° |
| C10 | N12 | C12 | H121 | 60.0° | 145.4° |
| C10 | N12 | C12 | H122 | 60.0° | 25.4° |
| N12 | C10 | C9 | H9 | 177.8° | 180.0° |
| C9 | C8 | C11 | N12 | 2.7° | 0.0° |
| C9 | C8 | C11 | N7 | 179.4° | 179.9° |
| C9 | C8 | N7 | C6 | 156.9° | 0.1° |
| C9 | C8 | C11 | H11 | 177.3° | 179.9° |
| C9 | C8 | N7 | H7 | 23.1° | 179.9° |
| C12 | N12 | C11 | C8 | 168.4° | 180.0° |
| C12 | N12 | C11 | H11 | 11.6° | 0.1° |
| N12 | C12 | H123 | H121 | 120.0° | 120.1° |
| N12 | C12 | H123 | H122 | 120.0° | 120.0° |
| N12 | C12 | H121 | H122 | 120.0° | 120.0° |
| N12 | C11 | C8 | H11 | 180.0° | 180.0° |
| N12 | C11 | C8 | N7 | 176.7° | 179.9° |
| C11 | N12 | C12 | H123 | 8.6° | 85.4° |
| C11 | N12 | C12 | H121 | 128.6° | 34.7° |
| C11 | N12 | C12 | H122 | 111.4° | 154.7° |
| C11 | C8 | N7 | C6 | 22.4° | 180.0° |
| C11 | C8 | C9 | H9 | 179.7° | 180.0° |
| C11 | C8 | N7 | H7 | 157.5° | 0.0° |
| C8 | N7 | C6 | H7 | 180.0° | 180.0° |
| C8 | N7 | C6 | O6 | 0.4° | 0.0° |
| C8 | N7 | C6 | C4 | 178.2° | 180.0° |
| N7 | C8 | C11 | H11 | 3.3° | 0.1° |
| N7 | C8 | C9 | H9 | 0.8° | 0.1° |
| N7 | C6 | O6 | C4 | 178.6° | 180.0° |
| N7 | C6 | C4 | C5 | 33.5° | 0.0° |
| N7 | C6 | C4 | C3 | 146.9° | 180.0° |
| O6 | C6 | C4 | C5 | 147.9° | 180.0° |
| O6 | C6 | C4 | C3 | 31.8° | 0.0° |
| O6 | C6 | N7 | H7 | 179.6° | 180.0° |
| C6 | C4 | C5 | C3 | 179.7° | 180.0° |
| C6 | C4 | C5 | N1 | 176.7° | 179.9° |
| C6 | C4 | C3 | C2 | 178.8° | 180.0° |
| C6 | C4 | C3 | H3 | 1.2° | 0.3° |
| C6 | C4 | C5 | H5 | 3.3° | 0.0° |
| C4 | C6 | N7 | H7 | 1.8° | 0.0° |
| C4 | C5 | N1 | H5 | 180.0° | 179.9° |
| C4 | C5 | N1 | C1 | 2.8° | 0.1° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C5 | C4 | C3 | H3 | 178.5° | 179.7° |
| N1 | C5 | C4 | C3 | 3.7° | 0.1° |
| C5 | N1 | C1 | C2 | 0.3° | 0.0° |
| C5 | N1 | C1 | H1 | 179.8° | 179.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 1.5° | 0.0° |
| C3 | C4 | C5 | H5 | 176.3° | 180.0° |
| C4 | C3 | C2 | H2 | 178.5° | 179.8° |
| N1 | C1 | C2 | C3 | 2.4° | 0.0° |
| N1 | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C5 | H5 | 177.2° | 180.0° |
| N1 | C1 | C2 | H2 | 177.6° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | H1 | 177.6° | 180.0° |
| C1 | C2 | C3 | H3 | 178.5° | 179.7° |
| H3 | C3 | C2 | H2 | 1.5° | 0.0° |
| H1 | C1 | C2 | H2 | 2.4° | 0.2° |
| H123 | C12 | H121 | H122 | 120.0° | 120.0° |
| H25 | C25 | C27 | H273 | 60.7° | 60.1° |
| H25 | C25 | C27 | H271 | 179.3° | 60.0° |
| H25 | C25 | C27 | H272 | 59.3° | 180.0° |
| H25 | C25 | C26 | H263 | 60.7° | 180.0° |
| H25 | C25 | C26 | H261 | 59.3° | 60.1° |
| H25 | C25 | C26 | H262 | 179.3° | 60.0° |
| H273 | C27 | H271 | H272 | 120.0° | 119.9° |
| H322 | C32 | C31 | H312 | 164.2° | 60.0° |
| H322 | C32 | C31 | H311 | 44.9° | 180.0° |
| H322 | C32 | N33 | H33 | 179.7° | 65.0° |
| H321 | C32 | C31 | H312 | 77.4° | 180.0° |
| H321 | C32 | C31 | H311 | 163.3° | 60.0° |
| H321 | C32 | N33 | H33 | 61.9° | 175.0° |
| H312 | C31 | C30 | H302 | 171.7° | 180.0° |
| H312 | C31 | C30 | H301 | 69.1° | 60.0° |
| H311 | C31 | C30 | H302 | 52.4° | 60.0° |
| H311 | C31 | C30 | H301 | 171.6° | 180.0° |
| H193 | C19 | H192 | H191 | 120.0° | 119.9° |
| H341 | C34 | H342 | H343 | 119.9° | 120.0° |
| H341 | C34 | N33 | H33 | 61.0° | 176.8° |
| H342 | C34 | N33 | H33 | 179.0° | 63.1° |
| H343 | C34 | N33 | H33 | 59.0° | 56.8° |
| H353 | C35 | H352 | H351 | 120.0° | 120.0° |
| H353 | C35 | N33 | H33 | 62.0° | 59.8° |
| H352 | C35 | N33 | H33 | 58.0° | 60.2° |
| H351 | C35 | N33 | H33 | 178.0° | 179.8° |
| H302 | C30 | N29 | H29 | 150.3° | 120.0° |
| H301 | C30 | N29 | H29 | 31.1° | 120.0° |
| H263 | C26 | H261 | H262 | 120.0° | 120.0° |
