AXQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.81Å | 1.83Å | |
| S1 | C28 | sing | 1.81Å | 1.82Å | |
| C2 | C5 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | N7 | sing | 1.47Å | 1.46Å | |
| C5 | C55 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N7 | C9 | sing | 1.35Å | 1.37Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | O54 | doub | 1.21Å | 1.22Å | |
| C10 | N12 | sing | 1.48Å | 1.46Å | |
| C10 | C50 | sing | 1.53Å | 1.56Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N12 | C14 | sing | 1.36Å | 1.35Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | O49 | doub | 1.21Å | 1.22Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | N31 | sing | 1.47Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | S20 | sing | 1.81Å | 1.77Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| S20 | C21 | sing | 1.81Å | 1.83Å | |
| C21 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | doub | 1.31Å | 1.34Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | sing | 1.51Å | 1.51Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N31 | C33 | sing | 1.35Å | 1.36Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C33 | O34 | doub | 1.21Å | 1.23Å | |
| C33 | O35 | sing | 1.35Å | 1.37Å | |
| O35 | C36 | sing | 1.45Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | C41 | sing | 1.53Å | 1.56Å | |
| C36 | C45 | sing | 1.53Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C55 | O57 | sing | 1.43Å | 1.44Å | |
| C55 | C59 | sing | 1.53Å | 1.54Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| O57 | H57 | sing | 0.97Å | 0.95Å | |
| C59 | C62 | sing | 1.53Å | 1.54Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C62 | C64 | sing | 1.53Å | 1.54Å | |
| C62 | C68 | sing | 1.51Å | 1.52Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C64 | H643 | sing | 1.09Å | 1.10Å | |
| C68 | O69 | doub | 1.21Å | 1.23Å | |
| C68 | N70 | sing | 1.35Å | 1.34Å | |
| N70 | C72 | sing | 1.46Å | 1.47Å | |
| N70 | H70 | sing | 0.97Å | 1.00Å | |
| C72 | C74 | sing | 1.53Å | 1.54Å | |
| C72 | C84 | sing | 1.51Å | 1.53Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C74 | C76 | sing | 1.53Å | 1.54Å | |
| C74 | C80 | sing | 1.53Å | 1.55Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| C76 | H761 | sing | 1.09Å | 1.10Å | |
| C76 | H762 | sing | 1.09Å | 1.10Å | |
| C76 | H763 | sing | 1.09Å | 1.10Å | |
| C80 | H801 | sing | 1.09Å | 1.10Å | |
| C80 | H802 | sing | 1.09Å | 1.10Å | |
| C80 | H803 | sing | 1.09Å | 1.10Å | |
| C84 | O85 | doub | 1.21Å | 1.23Å | |
| C84 | N86 | sing | 1.35Å | 1.35Å | |
| N86 | C88 | sing | 1.46Å | 1.46Å | |
| N86 | H86 | sing | 0.97Å | 1.00Å | |
| C88 | C91 | sing | 1.53Å | 1.54Å | |
| C88 | H881 | sing | 1.09Å | 1.10Å | |
| C88 | H882 | sing | 1.09Å | 1.10Å | |
| C91 | C94 | sing | 1.53Å | 1.53Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C94 | C97 | sing | 1.53Å | 1.54Å | |
| C94 | H941 | sing | 1.09Å | 1.10Å | |
| C94 | H942 | sing | 1.09Å | 1.10Å | |
| C97 | H971 | sing | 1.09Å | 1.10Å | |
| C97 | H972 | sing | 1.09Å | 1.10Å | |
| C97 | H973 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C28 | 102.4° | 100.0° |
| S1 | C2 | C5 | 105.0° | 109.4° |
| S1 | C2 | H21 | 112.0° | 109.5° |
| S1 | C2 | H22 | 111.0° | 109.5° |
| S1 | C28 | C26 | 111.2° | 109.5° |
| S1 | C28 | H281 | 108.5° | 109.5° |
| S1 | C28 | H282 | 108.9° | 109.5° |
| C5 | C2 | H21 | 112.0° | 109.4° |
| C5 | C2 | H22 | 111.0° | 109.5° |
| C2 | C5 | N7 | 108.0° | 109.3° |
| C2 | C5 | C55 | 112.2° | 109.5° |
| C2 | C5 | H5 | 110.1° | 109.4° |
| H21 | C2 | H22 | 106.0° | 109.5° |
| N7 | C5 | C55 | 113.3° | 109.5° |
| N7 | C5 | H5 | 108.9° | 109.5° |
| C5 | N7 | C9 | 120.3° | 119.7° |
| C5 | N7 | HN7 | 119.9° | 120.2° |
| C55 | C5 | H5 | 104.4° | 109.5° |
| C5 | C55 | O57 | 111.3° | 109.5° |
| C5 | C55 | C59 | 113.2° | 109.5° |
| C5 | C55 | H55 | 104.3° | 109.5° |
| C9 | N7 | HN7 | 119.8° | 120.1° |
| N7 | C9 | C10 | 115.3° | 120.0° |
| N7 | C9 | O54 | 123.8° | 120.0° |
| C10 | C9 | O54 | 120.8° | 119.9° |
| C9 | C10 | N12 | 107.8° | 108.6° |
| C9 | C10 | C50 | 114.1° | 109.8° |
| C9 | C10 | H10 | 108.1° | 109.7° |
| N12 | C10 | C50 | 111.3° | 109.6° |
| N12 | C10 | H10 | 111.0° | 109.5° |
| C10 | N12 | C14 | 120.2° | 115.9° |
| C10 | N12 | H12 | 119.9° | 122.1° |
| C50 | C10 | H10 | 104.4° | 109.6° |
| C10 | C50 | H501 | 109.5° | 109.5° |
| C10 | C50 | H502 | 109.5° | 109.5° |
| C10 | C50 | H503 | 109.5° | 109.5° |
| C14 | N12 | H12 | 119.9° | 122.0° |
| N12 | C14 | C15 | 114.8° | 119.0° |
| N12 | C14 | O49 | 125.4° | 120.5° |
| C15 | C14 | O49 | 119.7° | 120.5° |
| C14 | C15 | C17 | 104.8° | 109.4° |
| C14 | C15 | N31 | 110.7° | 109.5° |
| C14 | C15 | H15 | 113.1° | 109.5° |
| C17 | C15 | N31 | 113.3° | 109.5° |
| C17 | C15 | H15 | 110.5° | 109.5° |
| C15 | C17 | S20 | 108.3° | 109.5° |
| C15 | C17 | H171 | 110.1° | 109.5° |
| C15 | C17 | H172 | 109.9° | 109.4° |
| N31 | C15 | H15 | 104.6° | 109.5° |
| C15 | N31 | C33 | 117.9° | 120.0° |
| C15 | N31 | H31 | 121.0° | 120.0° |
| S20 | C17 | H171 | 110.1° | 109.5° |
| S20 | C17 | H172 | 109.9° | 109.5° |
| C17 | S20 | C21 | 95.6° | 100.0° |
| H171 | C17 | H172 | 108.5° | 109.5° |
| S20 | C21 | C24 | 110.6° | 109.5° |
| S20 | C21 | H211 | 108.8° | 109.5° |
| S20 | C21 | H212 | 109.1° | 109.5° |
| C24 | C21 | H211 | 108.8° | 109.5° |
| C24 | C21 | H212 | 109.1° | 109.5° |
| C21 | C24 | C26 | 122.9° | 120.0° |
| C21 | C24 | H24 | 118.6° | 120.0° |
| H211 | C21 | H212 | 110.4° | 109.4° |
| C26 | C24 | H24 | 118.6° | 119.9° |
| C24 | C26 | C28 | 120.1° | 120.0° |
| C24 | C26 | H26 | 120.0° | 120.1° |
| C28 | C26 | H26 | 119.9° | 119.9° |
| C26 | C28 | H281 | 108.5° | 109.5° |
| C26 | C28 | H282 | 108.9° | 109.5° |
| H281 | C28 | H282 | 110.8° | 109.4° |
| C33 | N31 | H31 | 121.1° | 120.0° |
| N31 | C33 | O34 | 123.4° | 120.0° |
| N31 | C33 | O35 | 112.8° | 120.0° |
| O34 | C33 | O35 | 123.8° | 120.0° |
| C33 | O35 | C36 | 114.4° | 120.1° |
| O35 | C36 | C37 | 108.7° | 109.5° |
| O35 | C36 | C41 | 111.7° | 109.5° |
| O35 | C36 | C45 | 110.8° | 109.4° |
| C37 | C36 | C41 | 107.8° | 109.5° |
| C37 | C36 | C45 | 107.5° | 109.5° |
| C36 | C37 | H371 | 109.4° | 109.5° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C36 | C37 | H373 | 109.5° | 109.5° |
| C41 | C36 | C45 | 110.1° | 109.5° |
| C36 | C41 | H411 | 109.4° | 109.5° |
| C36 | C41 | H412 | 109.5° | 109.5° |
| C36 | C41 | H413 | 109.5° | 109.5° |
| C36 | C45 | H451 | 109.4° | 109.4° |
| C36 | C45 | H452 | 109.5° | 109.4° |
| C36 | C45 | H453 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.4° |
| H372 | C37 | H373 | 109.4° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H502 | C50 | H503 | 109.5° | 109.5° |
| O57 | C55 | C59 | 104.9° | 109.5° |
| O57 | C55 | H55 | 112.6° | 109.5° |
| C55 | O57 | H57 | 109.5° | 106.8° |
| C59 | C55 | H55 | 110.7° | 109.5° |
| C55 | C59 | C62 | 105.8° | 109.5° |
| C55 | C59 | H591 | 111.5° | 109.4° |
| C55 | C59 | H592 | 110.7° | 109.5° |
| C62 | C59 | H591 | 111.5° | 109.5° |
| C62 | C59 | H592 | 110.7° | 109.5° |
| C59 | C62 | C64 | 112.3° | 109.5° |
| C59 | C62 | C68 | 108.0° | 109.5° |
| C59 | C62 | H62 | 107.3° | 109.4° |
| H591 | C59 | H592 | 106.7° | 109.5° |
| C64 | C62 | C68 | 105.3° | 109.5° |
| C64 | C62 | H62 | 110.0° | 109.5° |
| C62 | C64 | H641 | 109.5° | 109.5° |
| C62 | C64 | H642 | 109.5° | 109.5° |
| C62 | C64 | H643 | 109.5° | 109.5° |
| C68 | C62 | H62 | 114.1° | 109.5° |
| C62 | C68 | O69 | 120.2° | 120.0° |
| C62 | C68 | N70 | 115.8° | 120.0° |
| H641 | C64 | H642 | 109.5° | 109.5° |
| H641 | C64 | H643 | 109.4° | 109.5° |
| H642 | C64 | H643 | 109.5° | 109.4° |
| O69 | C68 | N70 | 124.1° | 120.0° |
| C68 | N70 | C72 | 118.2° | 120.0° |
| C68 | N70 | H70 | 120.9° | 120.0° |
| C72 | N70 | H70 | 120.9° | 120.0° |
| N70 | C72 | C74 | 112.0° | 109.5° |
| N70 | C72 | C84 | 108.5° | 109.5° |
| N70 | C72 | H72 | 109.2° | 109.5° |
| C74 | C72 | C84 | 111.6° | 109.5° |
| C74 | C72 | H72 | 105.9° | 109.5° |
| C72 | C74 | C76 | 109.3° | 109.5° |
| C72 | C74 | C80 | 110.7° | 109.5° |
| C72 | C74 | H74 | 108.2° | 109.5° |
| C84 | C72 | H72 | 109.5° | 109.4° |
| C72 | C84 | O85 | 119.1° | 120.0° |
| C72 | C84 | N86 | 117.1° | 120.1° |
| C76 | C74 | C80 | 107.6° | 109.5° |
| C76 | C74 | H74 | 111.2° | 109.5° |
| C74 | C76 | H761 | 109.5° | 109.5° |
| C74 | C76 | H762 | 109.5° | 109.5° |
| C74 | C76 | H763 | 109.5° | 109.5° |
| C80 | C74 | H74 | 109.9° | 109.5° |
| C74 | C80 | H801 | 109.5° | 109.5° |
| C74 | C80 | H802 | 109.5° | 109.4° |
| C74 | C80 | H803 | 109.5° | 109.4° |
| H761 | C76 | H762 | 109.5° | 109.4° |
| H761 | C76 | H763 | 109.4° | 109.5° |
| H762 | C76 | H763 | 109.5° | 109.5° |
| H801 | C80 | H802 | 109.5° | 109.6° |
| H801 | C80 | H803 | 109.5° | 109.4° |
| H802 | C80 | H803 | 109.4° | 109.5° |
| O85 | C84 | N86 | 123.8° | 120.0° |
| C84 | N86 | C88 | 117.8° | 120.0° |
| C84 | N86 | H86 | 121.1° | 119.9° |
| C88 | N86 | H86 | 121.1° | 120.0° |
| N86 | C88 | C91 | 110.4° | 109.5° |
| N86 | C88 | H881 | 109.0° | 109.5° |
| N86 | C88 | H882 | 109.2° | 109.5° |
| C91 | C88 | H881 | 109.0° | 109.5° |
| C91 | C88 | H882 | 109.2° | 109.4° |
| C88 | C91 | C94 | 109.8° | 109.5° |
| C88 | C91 | H911 | 109.2° | 109.5° |
| C88 | C91 | H912 | 109.4° | 109.5° |
| H881 | C88 | H882 | 110.2° | 109.4° |
| C94 | C91 | H911 | 109.3° | 109.5° |
| C94 | C91 | H912 | 109.3° | 109.4° |
| C91 | C94 | C97 | 108.6° | 109.4° |
| C91 | C94 | H941 | 109.9° | 109.5° |
| C91 | C94 | H942 | 109.7° | 109.4° |
| H911 | C91 | H912 | 109.8° | 109.5° |
| C97 | C94 | H941 | 110.0° | 109.5° |
| C97 | C94 | H942 | 109.8° | 109.5° |
| C94 | C97 | H971 | 109.5° | 109.4° |
| C94 | C97 | H972 | 109.4° | 109.5° |
| C94 | C97 | H973 | 109.5° | 109.5° |
| H941 | C94 | H942 | 108.8° | 109.5° |
| H971 | C97 | H972 | 109.5° | 109.4° |
| H971 | C97 | H973 | 109.4° | 109.4° |
| H972 | C97 | H973 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2 | C5 | H21 | 121.7° | 120.0° |
| S1 | C2 | C5 | H22 | 120.0° | 120.0° |
| S1 | C2 | H21 | H22 | 121.2° | 120.0° |
| S1 | C2 | C5 | N7 | 75.4° | 126.5° |
| S1 | C2 | C5 | C55 | 159.1° | 6.5° |
| S1 | C2 | C5 | H5 | 43.3° | 113.6° |
| C2 | S1 | C28 | C26 | 65.3° | 86.2° |
| C2 | S1 | C28 | H281 | 175.5° | 153.7° |
| C2 | S1 | C28 | H282 | 54.7° | 33.8° |
| C28 | S1 | C2 | C5 | 154.6° | 166.9° |
| C28 | S1 | C2 | H21 | 32.9° | 73.1° |
| C28 | S1 | C2 | H22 | 85.4° | 47.0° |
| S1 | C28 | C26 | C24 | 133.8° | 128.1° |
| S1 | C28 | C26 | H281 | 119.3° | 120.0° |
| S1 | C28 | C26 | H282 | 120.0° | 120.0° |
| S1 | C28 | C26 | H26 | 46.2° | 51.9° |
| S1 | C28 | H281 | H282 | 119.5° | 120.0° |
| C5 | C2 | H21 | H22 | 121.2° | 120.0° |
| C2 | C5 | N7 | C55 | 124.9° | 120.0° |
| C2 | C5 | N7 | H5 | 119.5° | 119.9° |
| C2 | C5 | C55 | H5 | 119.1° | 120.0° |
| C2 | C5 | N7 | C9 | 134.0° | 49.1° |
| C2 | C5 | N7 | HN7 | 46.0° | 130.9° |
| C2 | C5 | C55 | O57 | 58.9° | 60.0° |
| C2 | C5 | C55 | C59 | 176.8° | 179.9° |
| C2 | C5 | C55 | H55 | 62.8° | 60.0° |
| H21 | C2 | C5 | N7 | 46.3° | 113.5° |
| H21 | C2 | C5 | C55 | 79.2° | 126.5° |
| H21 | C2 | C5 | H5 | 165.0° | 6.4° |
| H22 | C2 | C5 | N7 | 164.6° | 6.5° |
| H22 | C2 | C5 | C55 | 39.1° | 113.5° |
| H22 | C2 | C5 | H5 | 76.7° | 126.5° |
| N7 | C5 | C55 | H5 | 118.3° | 120.1° |
| C5 | N7 | C9 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C9 | C10 | 178.3° | 178.7° |
| C5 | N7 | C9 | O54 | 1.3° | 1.2° |
| N7 | C5 | C55 | O57 | 63.7° | 59.9° |
| N7 | C5 | C55 | C59 | 54.3° | 60.1° |
| N7 | C5 | C55 | H55 | 174.7° | 179.9° |
| C55 | C5 | N7 | C9 | 101.1° | 169.1° |
| C55 | C5 | N7 | HN7 | 78.9° | 10.9° |
| C5 | C55 | O57 | C59 | 122.8° | 120.0° |
| C5 | C55 | O57 | H55 | 116.7° | 120.0° |
| C5 | C55 | C59 | H55 | 116.7° | 120.0° |
| C5 | C55 | O57 | H57 | 66.8° | 60.0° |
| C5 | C55 | C59 | C62 | 154.4° | 174.4° |
| C5 | C55 | C59 | H591 | 33.0° | 54.5° |
| C5 | C55 | C59 | H592 | 85.6° | 65.6° |
| H5 | C5 | N7 | C9 | 14.6° | 70.8° |
| H5 | C5 | N7 | HN7 | 165.5° | 109.2° |
| H5 | C5 | C55 | O57 | 178.0° | 180.0° |
| H5 | C5 | C55 | C59 | 64.1° | 60.0° |
| H5 | C5 | C55 | H55 | 56.4° | 60.0° |
| N7 | C9 | C10 | O54 | 179.6° | 180.0° |
| N7 | C9 | C10 | N12 | 66.9° | 130.0° |
| N7 | C9 | C10 | C50 | 168.9° | 110.2° |
| N7 | C9 | C10 | H10 | 53.2° | 10.3° |
| HN7 | N7 | C9 | C10 | 1.7° | 1.3° |
| HN7 | N7 | C9 | O54 | 178.7° | 178.7° |
| C9 | C10 | N12 | C50 | 125.8° | 120.0° |
| C9 | C10 | N12 | H10 | 118.3° | 119.8° |
| C9 | C10 | C50 | H10 | 117.8° | 120.5° |
| C9 | C10 | N12 | C14 | 157.6° | 65.4° |
| C9 | C10 | N12 | H12 | 22.4° | 114.5° |
| C9 | C10 | C50 | H501 | 144.5° | 59.1° |
| C9 | C10 | C50 | H502 | 95.5° | 60.8° |
| C9 | C10 | C50 | H503 | 24.5° | 179.2° |
| O54 | C9 | C10 | N12 | 113.5° | 50.0° |
| O54 | C9 | C10 | C50 | 10.7° | 69.8° |
| O54 | C9 | C10 | H10 | 126.3° | 169.7° |
| N12 | C10 | C50 | H10 | 119.9° | 120.2° |
| C10 | N12 | C14 | H12 | 180.0° | 179.9° |
| C10 | N12 | C14 | C15 | 178.6° | 179.6° |
| C10 | N12 | C14 | O49 | 1.1° | 0.4° |
| N12 | C10 | C50 | H501 | 22.2° | 60.1° |
| N12 | C10 | C50 | H502 | 142.2° | 179.9° |
| N12 | C10 | C50 | H503 | 97.8° | 60.0° |
| C50 | C10 | N12 | C14 | 76.6° | 174.6° |
| C50 | C10 | N12 | H12 | 103.4° | 5.5° |
| C10 | C50 | H501 | H502 | 120.0° | 120.0° |
| C10 | C50 | H501 | H503 | 120.0° | 120.0° |
| C10 | C50 | H502 | H503 | 120.0° | 120.0° |
| H10 | C10 | N12 | C14 | 39.3° | 54.3° |
| H10 | C10 | N12 | H12 | 140.7° | 125.8° |
| H10 | C10 | C50 | H501 | 97.7° | 179.7° |
| H10 | C10 | C50 | H502 | 22.3° | 59.7° |
| H10 | C10 | C50 | H503 | 142.3° | 60.3° |
| N12 | C14 | C15 | O49 | 179.8° | 179.9° |
| N12 | C14 | C15 | C17 | 76.3° | 176.7° |
| N12 | C14 | C15 | N31 | 161.2° | 56.8° |
| N12 | C14 | C15 | H15 | 44.1° | 63.3° |
| H12 | N12 | C14 | C15 | 1.4° | 0.3° |
| H12 | N12 | C14 | O49 | 178.9° | 179.7° |
| C14 | C15 | C17 | N31 | 120.8° | 120.0° |
| C14 | C15 | C17 | H15 | 122.1° | 120.0° |
| C14 | C15 | N31 | H15 | 122.1° | 120.1° |
| C14 | C15 | C17 | S20 | 168.8° | 114.5° |
| C14 | C15 | C17 | H171 | 48.3° | 5.5° |
| C14 | C15 | C17 | H172 | 71.2° | 125.5° |
| C14 | C15 | N31 | C33 | 67.5° | 85.0° |
| C14 | C15 | N31 | H31 | 112.5° | 94.9° |
| O49 | C14 | C15 | C17 | 103.5° | 3.2° |
| O49 | C14 | C15 | N31 | 19.1° | 123.2° |
| O49 | C14 | C15 | H15 | 136.1° | 116.8° |
| C17 | C15 | N31 | H15 | 120.4° | 120.0° |
| C15 | C17 | S20 | H171 | 120.5° | 120.0° |
| C15 | C17 | S20 | H172 | 120.0° | 120.0° |
| C15 | C17 | H171 | H172 | 120.3° | 120.0° |
| C15 | C17 | S20 | C21 | 159.6° | 124.4° |
| C17 | C15 | N31 | C33 | 175.0° | 155.0° |
| C17 | C15 | N31 | H31 | 5.0° | 25.0° |
| N31 | C15 | C17 | S20 | 70.4° | 125.5° |
| N31 | C15 | C17 | H171 | 169.1° | 114.5° |
| N31 | C15 | C17 | H172 | 49.6° | 5.5° |
| C15 | N31 | C33 | H31 | 180.0° | 180.0° |
| C15 | N31 | C33 | O34 | 2.2° | 0.0° |
| C15 | N31 | C33 | O35 | 177.4° | 180.0° |
| H15 | C15 | C17 | S20 | 46.6° | 5.5° |
| H15 | C15 | C17 | H171 | 73.9° | 125.6° |
| H15 | C15 | C17 | H172 | 166.6° | 114.4° |
| H15 | C15 | N31 | C33 | 54.6° | 35.0° |
| H15 | C15 | N31 | H31 | 125.4° | 145.0° |
| S20 | C17 | H171 | H172 | 120.3° | 120.0° |
| C17 | S20 | C21 | C24 | 84.0° | 106.3° |
| C17 | S20 | C21 | H211 | 35.5° | 13.8° |
| C17 | S20 | C21 | H212 | 156.0° | 133.8° |
| H171 | C17 | S20 | C21 | 39.1° | 4.4° |
| H172 | C17 | S20 | C21 | 80.4° | 115.6° |
| S20 | C21 | C24 | H211 | 119.5° | 120.0° |
| S20 | C21 | C24 | H212 | 120.0° | 120.0° |
| S20 | C21 | H211 | H212 | 119.7° | 119.9° |
| S20 | C21 | C24 | C26 | 106.5° | 154.9° |
| S20 | C21 | C24 | H24 | 73.5° | 25.0° |
| C24 | C21 | H211 | H212 | 119.7° | 120.0° |
| C21 | C24 | C26 | H24 | 180.0° | 179.9° |
| C21 | C24 | C26 | C28 | 177.1° | 179.9° |
| C21 | C24 | C26 | H26 | 2.9° | 0.1° |
| H211 | C21 | C24 | C26 | 13.0° | 34.9° |
| H211 | C21 | C24 | H24 | 167.0° | 145.0° |
| H212 | C21 | C24 | C26 | 133.5° | 85.1° |
| H212 | C21 | C24 | H24 | 46.5° | 95.0° |
| C24 | C26 | C28 | H26 | 180.0° | 179.9° |
| C24 | C26 | C28 | H281 | 14.6° | 111.9° |
| C24 | C26 | C28 | H282 | 106.2° | 8.1° |
| H24 | C24 | C26 | C28 | 2.9° | 0.0° |
| H24 | C24 | C26 | H26 | 177.1° | 180.0° |
| C26 | C28 | H281 | H282 | 119.5° | 120.0° |
| H26 | C26 | C28 | H281 | 165.4° | 68.1° |
| H26 | C26 | C28 | H282 | 73.8° | 172.0° |
| N31 | C33 | O34 | O35 | 179.6° | 180.0° |
| N31 | C33 | O35 | C36 | 177.8° | 180.0° |
| H31 | N31 | C33 | O34 | 177.8° | 179.9° |
| H31 | N31 | C33 | O35 | 2.5° | 0.0° |
| O34 | C33 | O35 | C36 | 1.9° | 0.0° |
| C33 | O35 | C36 | C37 | 178.9° | 60.0° |
| C33 | O35 | C36 | C41 | 62.2° | 180.0° |
| C33 | O35 | C36 | C45 | 60.9° | 60.0° |
| O35 | C36 | C37 | C41 | 121.3° | 120.0° |
| O35 | C36 | C37 | C45 | 120.0° | 120.0° |
| O35 | C36 | C41 | C45 | 123.6° | 120.0° |
| O35 | C36 | C37 | H371 | 41.4° | 60.0° |
| O35 | C36 | C37 | H372 | 78.6° | 179.9° |
| O35 | C36 | C37 | H373 | 161.4° | 60.0° |
| O35 | C36 | C41 | H411 | 1.3° | 60.0° |
| O35 | C36 | C41 | H412 | 118.7° | 180.0° |
| O35 | C36 | C41 | H413 | 121.3° | 60.0° |
| O35 | C36 | C45 | H451 | 72.3° | 60.0° |
| O35 | C36 | C45 | H452 | 167.7° | 179.9° |
| O35 | C36 | C45 | H453 | 47.7° | 60.0° |
| C37 | C36 | C41 | C45 | 117.0° | 120.0° |
| C36 | C37 | H371 | H372 | 120.0° | 120.1° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| C37 | C36 | C41 | H411 | 120.7° | 180.0° |
| C37 | C36 | C41 | H412 | 0.7° | 60.0° |
| C37 | C36 | C41 | H413 | 119.3° | 60.0° |
| C37 | C36 | C45 | H451 | 169.0° | 60.0° |
| C37 | C36 | C45 | H452 | 49.0° | 60.0° |
| C37 | C36 | C45 | H453 | 71.0° | 180.0° |
| C41 | C36 | C37 | H371 | 79.9° | 60.0° |
| C41 | C36 | C37 | H372 | 160.1° | 60.0° |
| C41 | C36 | C37 | H373 | 40.1° | 180.0° |
| C36 | C41 | H411 | H412 | 120.0° | 120.0° |
| C36 | C41 | H411 | H413 | 120.0° | 120.0° |
| C36 | C41 | H412 | H413 | 120.0° | 120.0° |
| C41 | C36 | C45 | H451 | 51.8° | 180.0° |
| C41 | C36 | C45 | H452 | 68.2° | 60.0° |
| C41 | C36 | C45 | H453 | 171.8° | 60.0° |
| C45 | C36 | C37 | H371 | 161.4° | 180.0° |
| C45 | C36 | C37 | H372 | 41.4° | 60.0° |
| C45 | C36 | C37 | H373 | 78.6° | 60.0° |
| C45 | C36 | C41 | H411 | 122.3° | 60.0° |
| C45 | C36 | C41 | H412 | 117.7° | 60.0° |
| C45 | C36 | C41 | H413 | 2.3° | 180.0° |
| C36 | C45 | H451 | H452 | 120.0° | 119.9° |
| C36 | C45 | H451 | H453 | 120.0° | 120.0° |
| C36 | C45 | H452 | H453 | 120.0° | 120.0° |
| H371 | C37 | H372 | H373 | 120.0° | 119.9° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| H501 | C50 | H502 | H503 | 120.0° | 120.0° |
| O57 | C55 | C59 | H55 | 121.8° | 120.0° |
| O57 | C55 | C59 | C62 | 84.1° | 65.6° |
| O57 | C55 | C59 | H591 | 154.5° | 174.5° |
| O57 | C55 | C59 | H592 | 35.9° | 54.4° |
| C59 | C55 | O57 | H57 | 56.0° | 60.0° |
| C55 | C59 | C62 | H591 | 121.4° | 120.0° |
| C55 | C59 | C62 | H592 | 120.0° | 120.0° |
| C55 | C59 | H591 | H592 | 121.0° | 120.0° |
| C55 | C59 | C62 | C64 | 155.3° | 173.3° |
| C55 | C59 | C62 | C68 | 89.0° | 66.6° |
| C55 | C59 | C62 | H62 | 34.4° | 53.3° |
| H55 | C55 | O57 | H57 | 176.6° | 180.0° |
| H55 | C55 | C59 | C62 | 37.7° | 54.4° |
| H55 | C55 | C59 | H591 | 83.7° | 65.5° |
| H55 | C55 | C59 | H592 | 157.7° | 174.4° |
| C62 | C59 | H591 | H592 | 121.0° | 120.0° |
| C59 | C62 | C64 | C68 | 117.3° | 120.0° |
| C59 | C62 | C64 | H62 | 119.4° | 120.0° |
| C59 | C62 | C68 | H62 | 119.2° | 119.9° |
| C59 | C62 | C64 | H641 | 145.5° | 177.8° |
| C59 | C62 | C64 | H642 | 25.5° | 57.7° |
| C59 | C62 | C64 | H643 | 94.5° | 62.2° |
| C59 | C62 | C68 | O69 | 31.5° | 0.0° |
| C59 | C62 | C68 | N70 | 148.2° | 180.0° |
| H591 | C59 | C62 | C64 | 83.2° | 66.7° |
| H591 | C59 | C62 | C68 | 32.4° | 53.3° |
| H591 | C59 | C62 | H62 | 155.8° | 173.3° |
| H592 | C59 | C62 | C64 | 35.3° | 53.4° |
| H592 | C59 | C62 | C68 | 151.0° | 173.4° |
| H592 | C59 | C62 | H62 | 85.6° | 66.7° |
| C64 | C62 | C68 | H62 | 120.6° | 120.0° |
| C62 | C64 | H641 | H642 | 120.0° | 120.0° |
| C62 | C64 | H641 | H643 | 120.0° | 120.0° |
| C62 | C64 | H642 | H643 | 120.0° | 120.0° |
| C64 | C62 | C68 | O69 | 88.6° | 120.0° |
| C64 | C62 | C68 | N70 | 91.7° | 60.0° |
| C68 | C62 | C64 | H641 | 28.2° | 62.2° |
| C68 | C62 | C64 | H642 | 91.8° | 177.7° |
| C68 | C62 | C64 | H643 | 148.2° | 57.8° |
| C62 | C68 | O69 | N70 | 179.7° | 180.0° |
| C62 | C68 | N70 | C72 | 178.8° | 180.0° |
| C62 | C68 | N70 | H70 | 1.2° | 0.0° |
| H62 | C62 | C64 | H641 | 95.1° | 57.8° |
| H62 | C62 | C64 | H642 | 144.9° | 62.3° |
| H62 | C62 | C64 | H643 | 24.9° | 177.8° |
| H62 | C62 | C68 | O69 | 150.7° | 119.9° |
| H62 | C62 | C68 | N70 | 29.0° | 60.0° |
| H641 | C64 | H642 | H643 | 120.0° | 120.0° |
| O69 | C68 | N70 | C72 | 1.5° | 0.1° |
| O69 | C68 | N70 | H70 | 178.5° | 180.0° |
| C68 | N70 | C72 | H70 | 180.0° | 180.0° |
| C68 | N70 | C72 | C74 | 167.7° | 85.0° |
| C68 | N70 | C72 | C84 | 68.7° | 155.0° |
| C68 | N70 | C72 | H72 | 50.7° | 35.0° |
| N70 | C72 | C74 | C84 | 121.9° | 120.1° |
| N70 | C72 | C74 | H72 | 119.0° | 120.0° |
| N70 | C72 | C84 | H72 | 119.1° | 120.0° |
| N70 | C72 | C74 | C76 | 67.5° | 60.0° |
| N70 | C72 | C74 | C80 | 174.2° | 60.0° |
| N70 | C72 | C74 | H74 | 53.8° | 180.0° |
| N70 | C72 | C84 | O85 | 31.3° | 0.0° |
| N70 | C72 | C84 | N86 | 147.9° | 180.0° |
| H70 | N70 | C72 | C74 | 12.3° | 95.0° |
| H70 | N70 | C72 | C84 | 111.3° | 25.0° |
| H70 | N70 | C72 | H72 | 129.3° | 145.0° |
| C74 | C72 | C84 | H72 | 117.0° | 120.0° |
| C72 | C74 | C76 | C80 | 120.2° | 120.0° |
| C72 | C74 | C76 | H74 | 119.4° | 120.0° |
| C72 | C74 | C80 | H74 | 119.4° | 120.0° |
| C72 | C74 | C76 | H761 | 140.3° | 60.0° |
| C72 | C74 | C76 | H762 | 20.2° | 180.0° |
| C72 | C74 | C76 | H763 | 99.8° | 60.0° |
| C72 | C74 | C80 | H801 | 53.1° | 60.0° |
| C72 | C74 | C80 | H802 | 67.0° | 180.0° |
| C72 | C74 | C80 | H803 | 173.1° | 60.0° |
| C74 | C72 | C84 | O85 | 92.5° | 120.0° |
| C74 | C72 | C84 | N86 | 88.2° | 60.0° |
| C84 | C72 | C74 | C76 | 54.4° | 180.0° |
| C84 | C72 | C74 | C80 | 63.9° | 60.0° |
| C84 | C72 | C74 | H74 | 175.7° | 60.0° |
| C72 | C84 | O85 | N86 | 179.2° | 180.0° |
| C72 | C84 | N86 | C88 | 179.9° | 180.0° |
| C72 | C84 | N86 | H86 | 0.1° | 0.0° |
| H72 | C72 | C74 | C76 | 173.6° | 60.1° |
| H72 | C72 | C74 | C80 | 55.2° | 180.0° |
| H72 | C72 | C74 | H74 | 65.2° | 60.0° |
| H72 | C72 | C84 | O85 | 150.5° | 120.0° |
| H72 | C72 | C84 | N86 | 28.8° | 60.0° |
| C76 | C74 | C80 | H74 | 121.2° | 120.0° |
| C74 | C76 | H761 | H762 | 120.0° | 120.0° |
| C74 | C76 | H761 | H763 | 120.0° | 120.0° |
| C74 | C76 | H762 | H763 | 120.1° | 120.0° |
| C76 | C74 | C80 | H801 | 172.5° | 179.9° |
| C76 | C74 | C80 | H802 | 52.4° | 60.0° |
| C76 | C74 | C80 | H803 | 67.5° | 60.0° |
| C80 | C74 | C76 | H761 | 20.0° | 60.0° |
| C80 | C74 | C76 | H762 | 100.0° | 60.0° |
| C80 | C74 | C76 | H763 | 140.0° | 180.0° |
| C74 | C80 | H801 | H802 | 120.0° | 120.0° |
| C74 | C80 | H801 | H803 | 120.0° | 119.9° |
| C74 | C80 | H802 | H803 | 120.0° | 120.0° |
| H74 | C74 | C76 | H761 | 100.4° | 180.0° |
| H74 | C74 | C76 | H762 | 139.6° | 60.0° |
| H74 | C74 | C76 | H763 | 19.6° | 60.0° |
| H74 | C74 | C80 | H801 | 66.3° | 60.0° |
| H74 | C74 | C80 | H802 | 173.7° | 60.1° |
| H74 | C74 | C80 | H803 | 53.7° | 180.0° |
| H761 | C76 | H762 | H763 | 119.9° | 120.0° |
| H801 | C80 | H802 | H803 | 120.0° | 120.0° |
| O85 | C84 | N86 | C88 | 0.7° | 0.0° |
| O85 | C84 | N86 | H86 | 179.3° | 180.0° |
| C84 | N86 | C88 | H86 | 180.0° | 179.9° |
| C84 | N86 | C88 | C91 | 152.4° | 180.0° |
| C84 | N86 | C88 | H881 | 32.8° | 60.0° |
| C84 | N86 | C88 | H882 | 87.6° | 60.0° |
| N86 | C88 | C91 | H881 | 119.6° | 120.1° |
| N86 | C88 | C91 | H882 | 120.0° | 120.0° |
| N86 | C88 | H881 | H882 | 119.7° | 120.0° |
| N86 | C88 | C91 | C94 | 81.5° | 180.0° |
| N86 | C88 | C91 | H911 | 158.7° | 60.0° |
| N86 | C88 | C91 | H912 | 38.5° | 60.1° |
| H86 | N86 | C88 | C91 | 27.5° | 0.1° |
| H86 | N86 | C88 | H881 | 147.2° | 120.0° |
| H86 | N86 | C88 | H882 | 92.5° | 120.0° |
| C91 | C88 | H881 | H882 | 119.8° | 119.9° |
| C88 | C91 | C94 | H911 | 119.8° | 120.1° |
| C88 | C91 | C94 | H912 | 120.0° | 120.0° |
| C88 | C91 | H911 | H912 | 119.9° | 120.0° |
| C88 | C91 | C94 | C97 | 179.5° | 180.0° |
| C88 | C91 | C94 | H941 | 60.2° | 60.0° |
| C88 | C91 | C94 | H942 | 59.5° | 60.0° |
| H881 | C88 | C91 | C94 | 38.1° | 59.9° |
| H881 | C88 | C91 | H911 | 81.7° | 180.0° |
| H881 | C88 | C91 | H912 | 158.1° | 60.0° |
| H882 | C88 | C91 | C94 | 158.5° | 60.0° |
| H882 | C88 | C91 | H911 | 38.7° | 60.0° |
| H882 | C88 | C91 | H912 | 81.5° | 180.0° |
| C94 | C91 | H911 | H912 | 119.9° | 120.0° |
| C91 | C94 | C97 | H941 | 120.4° | 120.0° |
| C91 | C94 | C97 | H942 | 120.0° | 119.9° |
| C91 | C94 | H941 | H942 | 120.2° | 120.0° |
| C91 | C94 | C97 | H971 | 57.1° | 180.0° |
| C91 | C94 | C97 | H972 | 177.1° | 60.1° |
| C91 | C94 | C97 | H973 | 62.9° | 60.0° |
| H911 | C91 | C94 | C97 | 59.7° | 60.0° |
| H911 | C91 | C94 | H941 | 180.0° | 179.9° |
| H911 | C91 | C94 | H942 | 60.4° | 60.0° |
| H912 | C91 | C94 | C97 | 60.5° | 60.0° |
| H912 | C91 | C94 | H941 | 59.9° | 60.0° |
| H912 | C91 | C94 | H942 | 179.5° | 180.0° |
| C97 | C94 | H941 | H942 | 120.2° | 120.1° |
| C94 | C97 | H971 | H972 | 120.0° | 120.0° |
| C94 | C97 | H971 | H973 | 120.0° | 120.0° |
| C94 | C97 | H972 | H973 | 120.0° | 120.1° |
| H941 | C94 | C97 | H971 | 63.3° | 60.1° |
| H941 | C94 | C97 | H972 | 56.7° | 59.9° |
| H941 | C94 | C97 | H973 | 176.7° | NaN° |
| H942 | C94 | C97 | H971 | 177.1° | 60.0° |
| H942 | C94 | C97 | H972 | 62.9° | 180.0° |
| H942 | C94 | C97 | H973 | 57.1° | 59.9° |
| H971 | C97 | H972 | H973 | 120.0° | 120.0° |
