GI9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C44 | sing | 1.47Å | 1.44Å | |
| C44 | C39 | sing | 1.53Å | 1.52Å | |
| C43 | C40 | doub | 1.38Å | 1.49Å | Aromatic |
| C43 | C42 | sing | 1.39Å | 1.47Å | Aromatic |
| C40 | C34 | sing | 1.39Å | 1.55Å | Aromatic |
| C39 | C36 | sing | 1.53Å | 1.51Å | |
| C42 | C37 | doub | 1.37Å | 1.48Å | Aromatic |
| C36 | C33 | sing | 1.53Å | 1.51Å | |
| C34 | N11 | sing | 1.38Å | 1.35Å | Aromatic |
| C34 | C29 | doub | 1.41Å | 1.36Å | Aromatic |
| C37 | C29 | sing | 1.40Å | 1.55Å | Aromatic |
| C33 | C30 | sing | 1.53Å | 1.51Å | |
| N11 | C31 | sing | 1.37Å | 1.35Å | Aromatic |
| C29 | C24 | sing | 1.46Å | 1.33Å | Aromatic |
| C30 | C38 | sing | 1.51Å | 1.52Å | |
| C30 | N10 | sing | 1.46Å | 1.43Å | |
| C31 | C24 | doub | 1.34Å | 1.36Å | Aromatic |
| C24 | C21 | sing | 1.51Å | 1.50Å | |
| O04 | C38 | sing | 1.34Å | 1.38Å | |
| O04 | C41 | sing | 1.45Å | 1.40Å | |
| O03 | C26 | doub | 1.21Å | 1.15Å | |
| C45 | C41 | sing | 1.53Å | 1.50Å | |
| C38 | O05 | doub | 1.21Å | 1.18Å | |
| N10 | C26 | sing | 1.35Å | 1.42Å | |
| C26 | C20 | sing | 1.51Å | 1.49Å | |
| C41 | C47 | sing | 1.53Å | 1.51Å | |
| C41 | C46 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C21 | C27 | sing | 1.53Å | 1.51Å | |
| C20 | N08 | sing | 1.46Å | 1.43Å | |
| N08 | C19 | sing | 1.35Å | 1.42Å | |
| C19 | O01 | doub | 1.22Å | 1.16Å | |
| C19 | N06 | sing | 1.35Å | 1.42Å | |
| C17 | N06 | sing | 1.47Å | 1.48Å | |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| N06 | C16 | sing | 1.47Å | 1.49Å | |
| C15 | C13 | sing | 1.53Å | 1.48Å | |
| C16 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.45Å | |
| C13 | N07 | sing | 1.47Å | 1.49Å | |
| C25 | C32 | doub | 1.38Å | 1.51Å | Aromatic |
| C25 | C18 | sing | 1.39Å | 1.52Å | Aromatic |
| C32 | C35 | sing | 1.38Å | 1.52Å | Aromatic |
| N07 | C18 | sing | 1.39Å | 1.43Å | |
| N07 | C22 | sing | 1.35Å | 1.46Å | |
| C18 | C23 | doub | 1.40Å | 1.45Å | Aromatic |
| C35 | C28 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | O02 | doub | 1.22Å | 1.17Å | |
| C22 | N09 | sing | 1.35Å | 1.45Å | |
| C23 | C28 | sing | 1.39Å | 1.53Å | Aromatic |
| C23 | N09 | sing | 1.39Å | 1.45Å | |
| N12 | H122 | sing | 1.01Å | 1.00Å | |
| N12 | H121 | sing | 1.01Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | 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 | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | 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 | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C44 | C39 | 108.6° | 109.5° |
| C44 | N12 | H122 | 109.5° | 111.0° |
| C44 | N12 | H121 | 109.5° | 111.0° |
| N12 | C44 | H442 | 109.7° | 109.4° |
| N12 | C44 | H441 | 109.7° | 109.4° |
| C44 | C39 | C36 | 106.9° | 109.4° |
| C44 | C39 | H392 | 110.1° | 109.5° |
| C44 | C39 | H391 | 110.1° | 109.5° |
| C39 | C44 | H442 | 109.7° | 109.5° |
| C39 | C44 | H441 | 109.7° | 109.5° |
| C40 | C43 | C42 | 120.3° | 120.7° |
| C43 | C40 | C34 | 119.5° | 119.8° |
| C43 | C40 | H401 | 120.2° | 120.1° |
| C40 | C43 | H431 | 119.9° | 119.7° |
| C43 | C42 | C37 | 119.6° | 120.5° |
| C43 | C42 | H421 | 120.2° | 119.7° |
| C42 | C43 | H431 | 119.9° | 119.6° |
| C40 | C34 | N11 | 132.0° | 133.5° |
| C40 | C34 | C29 | 120.0° | 119.3° |
| C34 | C40 | H401 | 120.3° | 120.1° |
| C39 | C36 | C33 | 109.8° | 109.5° |
| C39 | C36 | H361 | 109.4° | 109.5° |
| C39 | C36 | H362 | 109.4° | 109.5° |
| C36 | C39 | H392 | 110.1° | 109.4° |
| C36 | C39 | H391 | 110.1° | 109.5° |
| C42 | C37 | C29 | 119.3° | 119.8° |
| C42 | C37 | H371 | 120.4° | 120.1° |
| C37 | C42 | H421 | 120.2° | 119.8° |
| C36 | C33 | C30 | 104.4° | 109.5° |
| C36 | C33 | H331 | 110.7° | 109.5° |
| C36 | C33 | H332 | 110.7° | 109.5° |
| C33 | C36 | H361 | 109.4° | 109.4° |
| C33 | C36 | H362 | 109.4° | 109.4° |
| N11 | C34 | C29 | 108.0° | 107.1° |
| C34 | N11 | C31 | 108.0° | 109.9° |
| C34 | N11 | H111 | 126.0° | 125.1° |
| C34 | C29 | C37 | 121.4° | 119.9° |
| C34 | C29 | C24 | 108.0° | 106.1° |
| C37 | C29 | C24 | 130.6° | 134.0° |
| C29 | C37 | H371 | 120.4° | 120.1° |
| C33 | C30 | C38 | 111.1° | 109.5° |
| C33 | C30 | N10 | 108.5° | 109.5° |
| C33 | C30 | H301 | 109.2° | 109.4° |
| C30 | C33 | H331 | 110.7° | 109.5° |
| C30 | C33 | H332 | 110.7° | 109.5° |
| N11 | C31 | C24 | 107.3° | 109.9° |
| N11 | C31 | H311 | 126.3° | 125.0° |
| C31 | N11 | H111 | 126.0° | 125.0° |
| C29 | C24 | C31 | 108.6° | 107.0° |
| C29 | C24 | C21 | 123.5° | 126.6° |
| C38 | C30 | N10 | 108.9° | 109.5° |
| C30 | C38 | O04 | 120.0° | 120.0° |
| C30 | C38 | O05 | 119.7° | 120.0° |
| C38 | C30 | H301 | 109.0° | 109.5° |
| C30 | N10 | C26 | 120.0° | 120.0° |
| N10 | C30 | H301 | 110.2° | 109.5° |
| C30 | N10 | H101 | 120.0° | 120.0° |
| C31 | C24 | C21 | 127.9° | 126.5° |
| C24 | C31 | H311 | 126.4° | 125.1° |
| C24 | C21 | C20 | 111.5° | 109.5° |
| C24 | C21 | C27 | 109.3° | 109.5° |
| C24 | C21 | H211 | 110.1° | 109.5° |
| C38 | O04 | C41 | 116.8° | 117.0° |
| O04 | C38 | O05 | 120.4° | 120.0° |
| O04 | C41 | C45 | 110.2° | 109.5° |
| O04 | C41 | C47 | 108.5° | 109.4° |
| O04 | C41 | C46 | 111.2° | 109.5° |
| O03 | C26 | N10 | 121.5° | 120.0° |
| O03 | C26 | C20 | 121.1° | 120.0° |
| C45 | C41 | C47 | 111.3° | 109.5° |
| C45 | C41 | C46 | 108.0° | 109.5° |
| C41 | C45 | H451 | 109.5° | 109.4° |
| C41 | C45 | H452 | 109.5° | 109.5° |
| C41 | C45 | H453 | 109.5° | 109.4° |
| N10 | C26 | C20 | 117.4° | 120.0° |
| C26 | N10 | H101 | 120.0° | 120.0° |
| C26 | C20 | C21 | 113.2° | 109.5° |
| C26 | C20 | N08 | 105.1° | 109.5° |
| C26 | C20 | H201 | 110.8° | 109.5° |
| C47 | C41 | C46 | 107.6° | 109.5° |
| C41 | C47 | H473 | 109.5° | 109.5° |
| C41 | C47 | H471 | 109.5° | 109.5° |
| C41 | C47 | H472 | 109.5° | 109.5° |
| C41 | C46 | H462 | 109.5° | 109.5° |
| C41 | C46 | H461 | 109.5° | 109.4° |
| C41 | C46 | H463 | 109.5° | 109.5° |
| C20 | C21 | C27 | 105.6° | 109.5° |
| C21 | C20 | N08 | 104.9° | 109.5° |
| C21 | C20 | H201 | 110.8° | 109.4° |
| C20 | C21 | H211 | 110.3° | 109.4° |
| C21 | C27 | H271 | 109.5° | 109.5° |
| C21 | C27 | H272 | 109.5° | 109.5° |
| C21 | C27 | H273 | 109.5° | 109.5° |
| C27 | C21 | H211 | 110.0° | 109.5° |
| C20 | N08 | C19 | 117.2° | 120.0° |
| N08 | C20 | H201 | 111.7° | 109.5° |
| C20 | N08 | H081 | 121.4° | 120.0° |
| N08 | C19 | O01 | 118.5° | 120.0° |
| N08 | C19 | N06 | 121.2° | 120.0° |
| C19 | N08 | H081 | 121.4° | 120.0° |
| O01 | C19 | N06 | 120.3° | 120.0° |
| C19 | N06 | C17 | 123.1° | 120.7° |
| C19 | N06 | C16 | 122.1° | 120.6° |
| N06 | C17 | C15 | 114.1° | 108.8° |
| C17 | N06 | C16 | 114.8° | 118.7° |
| N06 | C17 | H172 | 108.3° | 109.6° |
| N06 | C17 | H171 | 108.3° | 109.6° |
| C17 | C15 | C13 | 112.4° | 109.3° |
| C17 | C15 | H152 | 108.7° | 109.5° |
| C17 | C15 | H151 | 108.7° | 109.5° |
| C15 | C17 | H172 | 108.3° | 109.6° |
| C15 | C17 | H171 | 108.3° | 109.5° |
| N06 | C16 | C14 | 112.0° | 108.8° |
| N06 | C16 | H162 | 108.9° | 109.6° |
| N06 | C16 | H161 | 108.8° | 109.7° |
| C15 | C13 | C14 | 112.4° | 109.6° |
| C15 | C13 | N07 | 108.6° | 109.4° |
| C15 | C13 | H131 | 109.0° | 109.5° |
| C13 | C15 | H152 | 108.8° | 109.5° |
| C13 | C15 | H151 | 108.8° | 109.5° |
| C16 | C14 | C13 | 106.9° | 109.3° |
| C16 | C14 | H142 | 110.1° | 109.5° |
| C16 | C14 | H141 | 110.1° | 109.5° |
| C14 | C16 | H162 | 108.8° | 109.6° |
| C14 | C16 | H161 | 108.8° | 109.6° |
| C14 | C13 | N07 | 108.6° | 109.4° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C13 | C14 | H142 | 110.1° | 109.5° |
| C13 | C14 | H141 | 110.1° | 109.5° |
| C13 | N07 | C18 | 122.1° | 125.8° |
| C13 | N07 | C22 | 128.8° | 125.8° |
| N07 | C13 | H131 | 108.8° | 109.5° |
| C32 | C25 | C18 | 119.4° | 119.8° |
| C25 | C32 | C35 | 119.5° | 120.2° |
| C32 | C25 | H251 | 120.3° | 120.1° |
| C25 | C32 | H321 | 120.2° | 119.8° |
| C25 | C18 | N07 | 130.6° | 133.3° |
| C25 | C18 | C23 | 121.7° | 119.9° |
| C18 | C25 | H251 | 120.3° | 120.0° |
| C32 | C35 | C28 | 119.7° | 120.3° |
| C35 | C32 | H321 | 120.3° | 119.9° |
| C32 | C35 | H351 | 120.2° | 119.8° |
| C18 | N07 | C22 | 109.2° | 108.4° |
| N07 | C18 | C23 | 107.7° | 106.8° |
| N07 | C22 | O02 | 127.8° | 125.1° |
| N07 | C22 | N09 | 106.8° | 109.7° |
| C18 | C23 | C28 | 119.9° | 119.8° |
| C18 | C23 | N09 | 108.3° | 106.8° |
| C35 | C28 | C23 | 119.7° | 119.9° |
| C35 | C28 | H281 | 120.1° | 120.1° |
| C28 | C35 | H351 | 120.2° | 119.8° |
| O02 | C22 | N09 | 125.4° | 125.1° |
| C22 | N09 | C23 | 108.1° | 108.3° |
| C22 | N09 | H091 | 125.9° | 125.9° |
| C28 | C23 | N09 | 131.8° | 133.4° |
| C23 | C28 | H281 | 120.1° | 120.0° |
| C23 | N09 | H091 | 126.0° | 125.8° |
| H122 | N12 | H121 | 109.5° | 111.0° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.6° |
| H172 | C17 | H171 | 109.5° | 109.7° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H442 | C44 | H441 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.4° | 109.5° |
| H452 | C45 | H453 | 109.4° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.4° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H473 | C47 | H472 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C44 | C39 | H442 | 119.9° | 120.0° |
| N12 | C44 | C39 | H441 | 119.9° | 119.9° |
| N12 | C44 | C39 | C36 | 118.1° | 175.1° |
| C44 | N12 | H122 | H121 | 120.0° | 123.9° |
| N12 | C44 | C39 | H392 | 1.4° | 55.1° |
| N12 | C44 | C39 | H391 | 122.3° | 64.9° |
| N12 | C44 | H442 | H441 | 120.4° | 119.9° |
| C44 | C39 | C36 | H392 | 119.6° | 120.0° |
| C44 | C39 | C36 | H391 | 119.6° | 120.1° |
| C44 | C39 | C36 | C33 | 175.3° | 175.1° |
| C39 | C44 | N12 | H122 | 180.0° | 174.8° |
| C39 | C44 | N12 | H121 | 60.0° | 61.2° |
| C44 | C39 | C36 | H361 | 64.6° | 65.0° |
| C44 | C39 | C36 | H362 | 55.3° | 55.1° |
| C44 | C39 | H392 | H391 | 121.2° | 120.1° |
| C39 | C44 | H442 | H441 | 120.4° | 120.1° |
| C40 | C43 | C42 | H431 | 180.0° | 179.6° |
| C43 | C40 | C34 | H401 | 180.0° | 179.9° |
| C40 | C43 | C42 | C37 | 0.7° | 0.6° |
| C43 | C40 | C34 | N11 | 179.9° | 179.9° |
| C43 | C40 | C34 | C29 | 0.4° | 0.1° |
| C40 | C43 | C42 | H421 | 179.3° | 179.8° |
| C42 | C43 | C40 | C34 | 0.6° | 0.3° |
| C43 | C42 | C37 | H421 | 180.0° | 179.6° |
| C43 | C42 | C37 | C29 | 0.5° | 0.4° |
| C43 | C42 | C37 | H371 | 179.6° | 179.5° |
| C42 | C43 | C40 | H401 | 179.4° | 179.6° |
| C40 | C34 | N11 | C29 | 179.8° | 179.8° |
| C40 | C34 | C29 | C37 | 0.2° | 0.3° |
| C40 | C34 | N11 | C31 | 179.9° | 179.9° |
| C40 | C34 | C29 | C24 | 179.9° | 179.8° |
| C34 | C40 | C43 | H431 | 179.4° | 180.0° |
| C40 | C34 | N11 | H111 | 0.1° | 0.1° |
| C39 | C36 | C33 | H361 | 120.0° | 120.0° |
| C39 | C36 | C33 | H362 | 120.1° | 120.0° |
| C39 | C36 | C33 | C30 | 122.8° | 175.0° |
| C39 | C36 | C33 | H331 | 118.0° | 65.0° |
| C39 | C36 | C33 | H332 | 3.6° | 54.9° |
| C39 | C36 | H361 | H362 | 119.8° | 120.0° |
| C36 | C39 | H392 | H391 | 121.2° | 120.0° |
| C36 | C39 | C44 | H442 | 122.0° | 55.1° |
| C36 | C39 | C44 | H441 | 1.7° | 65.0° |
| C42 | C37 | C29 | C34 | 0.2° | 0.1° |
| C42 | C37 | C29 | H371 | 180.0° | 179.9° |
| C42 | C37 | C29 | C24 | 179.8° | 180.0° |
| C37 | C42 | C43 | H431 | 179.3° | 179.8° |
| C36 | C33 | C30 | H331 | 119.2° | 120.0° |
| C36 | C33 | C30 | H332 | 119.2° | 120.1° |
| C36 | C33 | C30 | C38 | 131.1° | 173.9° |
| C36 | C33 | C30 | N10 | 109.3° | 66.1° |
| C36 | C33 | C30 | H301 | 10.8° | 53.9° |
| C36 | C33 | H331 | H332 | 122.3° | 120.0° |
| C33 | C36 | H361 | H362 | 119.8° | 120.0° |
| C33 | C36 | C39 | H392 | 55.7° | 55.1° |
| C33 | C36 | C39 | H391 | 65.1° | 64.8° |
| N11 | C34 | C29 | C37 | 180.0° | 179.8° |
| C34 | N11 | C31 | H111 | 180.0° | 180.0° |
| N11 | C34 | C29 | C24 | 0.0° | 0.1° |
| C34 | N11 | C31 | C24 | 0.5° | 0.2° |
| C34 | N11 | C31 | H311 | 179.5° | 179.9° |
| N11 | C34 | C40 | H401 | 0.1° | 0.1° |
| C34 | C29 | C37 | C24 | 180.0° | 179.9° |
| C29 | C34 | N11 | C31 | 0.3° | 0.0° |
| C34 | C29 | C24 | C31 | 0.3° | 0.2° |
| C34 | C29 | C24 | C21 | 179.2° | 180.0° |
| C34 | C29 | C37 | H371 | 179.8° | 180.0° |
| C29 | C34 | C40 | H401 | 179.7° | 180.0° |
| C29 | C34 | N11 | H111 | 179.7° | 180.0° |
| C37 | C29 | C24 | C31 | 179.7° | 179.7° |
| C37 | C29 | C24 | C21 | 0.8° | 0.1° |
| C29 | C37 | C42 | H421 | 179.6° | 180.0° |
| C33 | C30 | C38 | N10 | 119.4° | 120.0° |
| C33 | C30 | C38 | H301 | 120.4° | 120.0° |
| C33 | C30 | N10 | H301 | 119.5° | 120.0° |
| C33 | C30 | C38 | O04 | 79.3° | 60.0° |
| C33 | C30 | C38 | O05 | 100.7° | 120.0° |
| C33 | C30 | N10 | C26 | 117.1° | 156.9° |
| C30 | C33 | H331 | H332 | 122.3° | 120.0° |
| C30 | C33 | C36 | H361 | 2.8° | 55.0° |
| C30 | C33 | C36 | H362 | 117.1° | 65.0° |
| C33 | C30 | N10 | H101 | 62.9° | 23.2° |
| N11 | C31 | C24 | C29 | 0.5° | 0.2° |
| N11 | C31 | C24 | H311 | 180.0° | 179.9° |
| N11 | C31 | C24 | C21 | 179.4° | 180.0° |
| C29 | C24 | C31 | C21 | 178.9° | 179.8° |
| C29 | C24 | C21 | C20 | 143.3° | 124.6° |
| C29 | C24 | C21 | C27 | 100.4° | 115.4° |
| C29 | C24 | C21 | H211 | 20.5° | 4.6° |
| C29 | C24 | C31 | H311 | 179.5° | 179.8° |
| C24 | C29 | C37 | H371 | 0.2° | 0.1° |
| C38 | C30 | N10 | H301 | 119.6° | 120.0° |
| C30 | C38 | O04 | O05 | 180.0° | 179.9° |
| C30 | C38 | O04 | C41 | 179.6° | 179.9° |
| C38 | C30 | N10 | C26 | 122.0° | 83.1° |
| C38 | C30 | C33 | H331 | 11.9° | 66.1° |
| C38 | C30 | C33 | H332 | 109.7° | 53.8° |
| C38 | C30 | N10 | H101 | 58.0° | 96.9° |
| N10 | C30 | C38 | O04 | 161.3° | 180.0° |
| C30 | N10 | C26 | O03 | 0.4° | 5.2° |
| N10 | C30 | C38 | O05 | 18.7° | 0.1° |
| C30 | N10 | C26 | H101 | 180.0° | 179.9° |
| C30 | N10 | C26 | C20 | 177.3° | 174.9° |
| N10 | C30 | C33 | H331 | 131.5° | 54.0° |
| N10 | C30 | C33 | H332 | 9.9° | 173.9° |
| C31 | C24 | C21 | C20 | 37.9° | 55.2° |
| C31 | C24 | C21 | C27 | 78.4° | 64.8° |
| C31 | C24 | C21 | H211 | 160.7° | 175.2° |
| C24 | C31 | N11 | H111 | 179.6° | 179.8° |
| C24 | C21 | C20 | C26 | 59.4° | 57.5° |
| C24 | C21 | C20 | C27 | 118.5° | 120.1° |
| C24 | C21 | C20 | H211 | 122.6° | 120.0° |
| C24 | C21 | C27 | H211 | 120.9° | 120.0° |
| C24 | C21 | C20 | N08 | 173.6° | 177.6° |
| C24 | C21 | C20 | H201 | 65.7° | 62.4° |
| C24 | C21 | C27 | H271 | 180.0° | 60.0° |
| C24 | C21 | C27 | H272 | 60.0° | 180.0° |
| C24 | C21 | C27 | H273 | 60.0° | 60.0° |
| C21 | C24 | C31 | H311 | 0.6° | 0.0° |
| C38 | O04 | C41 | C45 | 177.2° | 60.0° |
| C38 | O04 | C41 | C47 | 60.7° | 60.0° |
| C38 | O04 | C41 | C46 | 57.5° | 180.0° |
| O04 | C38 | C30 | H301 | 41.0° | 60.0° |
| O04 | C41 | C45 | C47 | 120.4° | 120.0° |
| O04 | C41 | C45 | C46 | 121.7° | 120.1° |
| C41 | O04 | C38 | O05 | 0.4° | 0.0° |
| O04 | C41 | C47 | C46 | 120.4° | 120.0° |
| O04 | C41 | C45 | H451 | 180.0° | 180.0° |
| O04 | C41 | C45 | H452 | 60.0° | 60.0° |
| O04 | C41 | C45 | H453 | 60.0° | 60.0° |
| O04 | C41 | C46 | H462 | 180.0° | 59.9° |
| O04 | C41 | C46 | H461 | 60.0° | 60.0° |
| O04 | C41 | C46 | H463 | 60.0° | 179.9° |
| O04 | C41 | C47 | H473 | 180.0° | 180.0° |
| O04 | C41 | C47 | H471 | 60.0° | 60.0° |
| O04 | C41 | C47 | H472 | 60.0° | 60.0° |
| O03 | C26 | N10 | C20 | 177.7° | 179.9° |
| O03 | C26 | C20 | C21 | 59.0° | 86.4° |
| O03 | C26 | C20 | N08 | 55.0° | 153.6° |
| O03 | C26 | C20 | H201 | 175.8° | 33.6° |
| O03 | C26 | N10 | H101 | 179.6° | 174.8° |
| C45 | C41 | C47 | C46 | 118.2° | 120.0° |
| C41 | C45 | H451 | H452 | 120.0° | 120.0° |
| C41 | C45 | H451 | H453 | 120.0° | 119.9° |
| C41 | C45 | H452 | H453 | 120.0° | 120.0° |
| C45 | C41 | C46 | H462 | 59.0° | 180.0° |
| C45 | C41 | C46 | H461 | 179.0° | 60.1° |
| C45 | C41 | C46 | H463 | 61.0° | 60.0° |
| C45 | C41 | C47 | H473 | 58.6° | 60.0° |
| C45 | C41 | C47 | H471 | 61.4° | 60.0° |
| C45 | C41 | C47 | H472 | 178.6° | 180.0° |
| O05 | C38 | C30 | H301 | 139.0° | 120.0° |
| N10 | C26 | C20 | C21 | 123.3° | 93.6° |
| N10 | C26 | C20 | N08 | 122.7° | 26.5° |
| N10 | C26 | C20 | H201 | 1.9° | 146.5° |
| C26 | N10 | C30 | H301 | 2.4° | 36.9° |
| C26 | C20 | C21 | N08 | 114.1° | 120.1° |
| C26 | C20 | C21 | H201 | 125.2° | 120.0° |
| C26 | C20 | C21 | C27 | 178.0° | 177.6° |
| C26 | C20 | N08 | H201 | 120.2° | 120.0° |
| C26 | C20 | N08 | C19 | 108.7° | 155.0° |
| C26 | C20 | C21 | H211 | 63.2° | 62.4° |
| C26 | C20 | N08 | H081 | 71.3° | 25.0° |
| C20 | C26 | N10 | H101 | 2.7° | 5.1° |
| C47 | C41 | C45 | H451 | 59.6° | 60.0° |
| C47 | C41 | C45 | H452 | 179.6° | 180.0° |
| C47 | C41 | C45 | H453 | 60.4° | 60.0° |
| C47 | C41 | C46 | H462 | 61.3° | 60.0° |
| C47 | C41 | C46 | H461 | 58.7° | 180.0° |
| C47 | C41 | C46 | H463 | 178.7° | 60.0° |
| C41 | C47 | H473 | H471 | 120.0° | 120.1° |
| C41 | C47 | H473 | H472 | 120.0° | 120.0° |
| C41 | C47 | H471 | H472 | 120.0° | 120.0° |
| C46 | C41 | C45 | H451 | 58.4° | 60.0° |
| C46 | C41 | C45 | H452 | 61.7° | 60.0° |
| C46 | C41 | C45 | H453 | 178.3° | 180.0° |
| C41 | C46 | H462 | H461 | 120.0° | 119.9° |
| C41 | C46 | H462 | H463 | 120.0° | 120.0° |
| C41 | C46 | H461 | H463 | 120.0° | 120.0° |
| C46 | C41 | C47 | H473 | 59.6° | 59.9° |
| C46 | C41 | C47 | H471 | 179.6° | 180.0° |
| C46 | C41 | C47 | H472 | 60.4° | 60.0° |
| C20 | C21 | C27 | H211 | 119.0° | 119.9° |
| C21 | C20 | N08 | H201 | 120.1° | 119.9° |
| C21 | C20 | N08 | C19 | 131.6° | 85.0° |
| C20 | C21 | C27 | H271 | 60.0° | 180.0° |
| C20 | C21 | C27 | H272 | 60.0° | 60.0° |
| C20 | C21 | C27 | H273 | 180.0° | 60.1° |
| C21 | C20 | N08 | H081 | 48.4° | 95.1° |
| C27 | C21 | C20 | N08 | 67.9° | 62.3° |
| C27 | C21 | C20 | H201 | 52.8° | 57.6° |
| C21 | C27 | H271 | H272 | 120.0° | 120.0° |
| C21 | C27 | H271 | H273 | 120.0° | 120.0° |
| C21 | C27 | H272 | H273 | 120.0° | 120.0° |
| C20 | N08 | C19 | H081 | 180.0° | 179.9° |
| C20 | N08 | C19 | O01 | 0.2° | 5.1° |
| C20 | N08 | C19 | N06 | 180.0° | 174.9° |
| N08 | C20 | C21 | H211 | 50.9° | 57.6° |
| N08 | C19 | O01 | N06 | 179.8° | 180.0° |
| N08 | C19 | N06 | C17 | 0.4° | 5.0° |
| N08 | C19 | N06 | C16 | 179.7° | 175.0° |
| C19 | N08 | C20 | H201 | 11.5° | 35.0° |
| O01 | C19 | N06 | C17 | 179.8° | 175.0° |
| O01 | C19 | N06 | C16 | 0.6° | 5.0° |
| O01 | C19 | N08 | H081 | 179.8° | 174.9° |
| C19 | N06 | C17 | C16 | 179.3° | 180.0° |
| C19 | N06 | C17 | C15 | 136.3° | 126.4° |
| C19 | N06 | C16 | C14 | 179.8° | 126.4° |
| C19 | N06 | C16 | H162 | 59.4° | 6.6° |
| C19 | N06 | C16 | H161 | 59.8° | 113.8° |
| C19 | N06 | C17 | H172 | 103.0° | 113.8° |
| C19 | N06 | C17 | H171 | 15.6° | 6.6° |
| N06 | C19 | N08 | H081 | 0.0° | 5.1° |
| N06 | C17 | C15 | H172 | 120.7° | 119.9° |
| N06 | C17 | C15 | H171 | 120.7° | 119.8° |
| N06 | C17 | C15 | C13 | 31.1° | 54.6° |
| C17 | N06 | C16 | C14 | 0.9° | 53.6° |
| N06 | C17 | C15 | H152 | 151.6° | 174.6° |
| N06 | C17 | C15 | H151 | 89.3° | 65.3° |
| C17 | N06 | C16 | H162 | 121.3° | 173.4° |
| C17 | N06 | C16 | H161 | 119.4° | 66.2° |
| N06 | C17 | H172 | H171 | 117.9° | 120.4° |
| C15 | C17 | N06 | C16 | 44.4° | 53.6° |
| C17 | C15 | C13 | H152 | 120.4° | 120.0° |
| C17 | C15 | C13 | H151 | 120.4° | 119.9° |
| C17 | C15 | C13 | C14 | 25.1° | 61.4° |
| C17 | C15 | C13 | N07 | 145.3° | 178.6° |
| C17 | C15 | C13 | H131 | 96.3° | 58.7° |
| C17 | C15 | H152 | H151 | 118.6° | 120.1° |
| C15 | C17 | H172 | H171 | 117.8° | 120.3° |
| N06 | C16 | C14 | H162 | 120.4° | 119.8° |
| N06 | C16 | C14 | H161 | 120.4° | 119.9° |
| N06 | C16 | C14 | C13 | 54.1° | 54.6° |
| N06 | C16 | C14 | H142 | 173.7° | 65.3° |
| N06 | C16 | C14 | H141 | 65.5° | 174.6° |
| N06 | C16 | H162 | H161 | 118.9° | 120.4° |
| C16 | N06 | C17 | H172 | 76.3° | 66.2° |
| C16 | N06 | C17 | H171 | 165.1° | 173.4° |
| C15 | C13 | C14 | C16 | 68.8° | 61.4° |
| C15 | C13 | C14 | N07 | 120.2° | 120.0° |
| C15 | C13 | C14 | H131 | 121.2° | 120.1° |
| C15 | C13 | N07 | H131 | 118.5° | 120.0° |
| C15 | C13 | N07 | C18 | 91.8° | 119.9° |
| C15 | C13 | N07 | C22 | 88.0° | 60.1° |
| C15 | C13 | C14 | H142 | 171.5° | 58.5° |
| C15 | C13 | C14 | H141 | 50.7° | 178.7° |
| C13 | C15 | H152 | H151 | 118.7° | 120.1° |
| C13 | C15 | C17 | H172 | 89.6° | 65.2° |
| C13 | C15 | C17 | H171 | 151.8° | 174.4° |
| C16 | C14 | C13 | H142 | 119.6° | 119.9° |
| C16 | C14 | C13 | H141 | 119.6° | 119.9° |
| C16 | C14 | C13 | N07 | 170.9° | 178.6° |
| C16 | C14 | C13 | H131 | 52.3° | 58.7° |
| C16 | C14 | H142 | H141 | 121.2° | 120.0° |
| C14 | C16 | H162 | H161 | 118.8° | 120.3° |
| C14 | C13 | N07 | H131 | 119.0° | 120.0° |
| C14 | C13 | N07 | C18 | 145.6° | 120.0° |
| C14 | C13 | N07 | C22 | 34.5° | 59.9° |
| C13 | C14 | H142 | H141 | 121.2° | 120.2° |
| C14 | C13 | C15 | H152 | 95.3° | 178.6° |
| C14 | C13 | C15 | H151 | 145.5° | 58.5° |
| C13 | C14 | C16 | H162 | 66.3° | 174.4° |
| C13 | C14 | C16 | H161 | 174.5° | 65.3° |
| C13 | N07 | C18 | C25 | 0.2° | 0.3° |
| C13 | N07 | C18 | C22 | 179.9° | 179.9° |
| C13 | N07 | C18 | C23 | 179.8° | 180.0° |
| C13 | N07 | C22 | O02 | 0.0° | 0.1° |
| C13 | N07 | C22 | N09 | 179.9° | 179.8° |
| N07 | C13 | C14 | H142 | 51.3° | 61.5° |
| N07 | C13 | C14 | H141 | 69.5° | 58.7° |
| N07 | C13 | C15 | H152 | 24.9° | 58.7° |
| N07 | C13 | C15 | H151 | 94.2° | 61.4° |
| C32 | C25 | C18 | H251 | 180.0° | 179.9° |
| C25 | C32 | C35 | H321 | 180.0° | 179.9° |
| C32 | C25 | C18 | N07 | 179.8° | 179.7° |
| C32 | C25 | C18 | C23 | 0.1° | 0.0° |
| C25 | C32 | C35 | C28 | 0.1° | 0.1° |
| C25 | C32 | C35 | H351 | 179.9° | 180.0° |
| C18 | C25 | C32 | C35 | 0.1° | 0.1° |
| C25 | C18 | N07 | C23 | 180.0° | 179.7° |
| C25 | C18 | N07 | C22 | 179.9° | 179.7° |
| C25 | C18 | C23 | C28 | 0.1° | 0.0° |
| C25 | C18 | C23 | N09 | 179.9° | 180.0° |
| C18 | C25 | C32 | H321 | 179.8° | 180.0° |
| C32 | C35 | C28 | H351 | 180.0° | 180.0° |
| C32 | C35 | C28 | C23 | 0.1° | 0.0° |
| C35 | C32 | C25 | H251 | 179.9° | 180.0° |
| C32 | C35 | C28 | H281 | 179.9° | 180.0° |
| C18 | N07 | C22 | O02 | 179.9° | 179.9° |
| C18 | N07 | C22 | N09 | 0.0° | 0.2° |
| N07 | C18 | C23 | C28 | 179.9° | 179.8° |
| N07 | C18 | C23 | N09 | 0.2° | 0.2° |
| C18 | N07 | C13 | H131 | 26.6° | 0.0° |
| N07 | C18 | C25 | H251 | 0.1° | 0.3° |
| C22 | N07 | C18 | C23 | 0.1° | 0.0° |
| N07 | C22 | O02 | N09 | 179.9° | 179.6° |
| N07 | C22 | N09 | C23 | 0.1° | 0.3° |
| C22 | N07 | C13 | H131 | 153.5° | 179.9° |
| N07 | C22 | N09 | H091 | 179.9° | 180.0° |
| C18 | C23 | C28 | C35 | 0.1° | 0.0° |
| C18 | C23 | N09 | C22 | 0.2° | 0.3° |
| C18 | C23 | C28 | N09 | 180.0° | 179.9° |
| C23 | C18 | C25 | H251 | 179.9° | 180.0° |
| C18 | C23 | C28 | H281 | 179.9° | 180.0° |
| C18 | C23 | N09 | H091 | 179.8° | 180.0° |
| C35 | C28 | C23 | H281 | 180.0° | 180.0° |
| C35 | C28 | C23 | N09 | 179.9° | 180.0° |
| C28 | C35 | C32 | H321 | 179.8° | 180.0° |
| O02 | C22 | N09 | C23 | 179.8° | 180.0° |
| O02 | C22 | N09 | H091 | 0.2° | 0.3° |
| C22 | N09 | C23 | C28 | 179.8° | 179.6° |
| C22 | N09 | C23 | H091 | 180.0° | 179.7° |
| C23 | C28 | C35 | H351 | 179.9° | 180.0° |
| C28 | C23 | N09 | H091 | 0.2° | 0.1° |
| N09 | C23 | C28 | H281 | 0.1° | 0.1° |
| H122 | N12 | C44 | H442 | 60.1° | 65.2° |
| H122 | N12 | C44 | H441 | 60.1° | 54.8° |
| H121 | N12 | C44 | H442 | 59.9° | 58.8° |
| H121 | N12 | C44 | H441 | 179.9° | 178.8° |
| H131 | C13 | C14 | H142 | 67.3° | 178.6° |
| H131 | C13 | C14 | H141 | 171.9° | 61.2° |
| H131 | C13 | C15 | H152 | 143.2° | 61.3° |
| H131 | C13 | C15 | H151 | 24.1° | 178.6° |
| H142 | C14 | C16 | H162 | 53.3° | 54.5° |
| H142 | C14 | C16 | H161 | 65.9° | 174.7° |
| H141 | C14 | C16 | H162 | 174.1° | 65.7° |
| H141 | C14 | C16 | H161 | 54.9° | 54.6° |
| H152 | C15 | C17 | H172 | 30.9° | 54.8° |
| H152 | C15 | C17 | H171 | 87.7° | 65.6° |
| H151 | C15 | C17 | H172 | 150.0° | 174.8° |
| H151 | C15 | C17 | H171 | 31.4° | 54.5° |
| H201 | C20 | C21 | H211 | 171.6° | 177.6° |
| H201 | C20 | N08 | H081 | 168.5° | 145.0° |
| H251 | C25 | C32 | H321 | 0.2° | 0.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H271 | C27 | C21 | H211 | 59.0° | 60.0° |
| H272 | C27 | C21 | H211 | 179.1° | 60.0° |
| H273 | C27 | C21 | H211 | 60.9° | 180.0° |
| H281 | C28 | C35 | H351 | 0.1° | 0.0° |
| H301 | C30 | C33 | H331 | 108.4° | 173.9° |
| H301 | C30 | C33 | H332 | 130.0° | 66.2° |
| H301 | C30 | N10 | H101 | 177.6° | 143.2° |
| H311 | C31 | N11 | H111 | 0.5° | 0.1° |
| H321 | C32 | C35 | H351 | 0.2° | 0.0° |
| H331 | C33 | C36 | H361 | 122.0° | 175.0° |
| H331 | C33 | C36 | H362 | 2.1° | 55.0° |
| H332 | C33 | C36 | H361 | 116.4° | 65.1° |
| H332 | C33 | C36 | H362 | 123.7° | 174.9° |
| H361 | C36 | C39 | H392 | 175.8° | 175.1° |
| H361 | C36 | C39 | H391 | 55.0° | 55.1° |
| H362 | C36 | C39 | H392 | 64.3° | 64.9° |
| H362 | C36 | C39 | H391 | 174.9° | 175.2° |
| H371 | C37 | C42 | H421 | 0.4° | 0.0° |
| H392 | C39 | C44 | H442 | 118.5° | 64.8° |
| H392 | C39 | C44 | H441 | 121.3° | 175.1° |
| H391 | C39 | C44 | H442 | 2.4° | 175.1° |
| H391 | C39 | C44 | H441 | 117.9° | 55.1° |
| H401 | C40 | C43 | H431 | 0.6° | 0.0° |
| H421 | C42 | C43 | H431 | 0.6° | 0.2° |
| H451 | C45 | H452 | H453 | 120.0° | 120.1° |
| H462 | C46 | H461 | H463 | 120.0° | 120.0° |
| H473 | C47 | H471 | H472 | 120.0° | 119.9° |
