GGI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C09 | sing | 1.40Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | doub | 1.38Å | 1.36Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.44Å | |
| C09 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.32Å | 1.48Å | |
| O26 | C15 | doub | 1.21Å | 1.21Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.51Å | 1.57Å | |
| N03 | C04 | sing | 1.48Å | 1.43Å | |
| N03 | C02 | sing | 1.37Å | 1.46Å | |
| O56 | S48 | doub | 1.42Å | 1.49Å | |
| C04 | C15 | sing | 1.51Å | 1.55Å | |
| C41 | C11 | sing | 1.50Å | 1.57Å | |
| C41 | C40 | sing | 1.53Å | 1.55Å | |
| C15 | N16 | sing | 1.35Å | 1.47Å | |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C02 | sing | 1.51Å | 1.52Å | |
| C27 | N47 | sing | 1.47Å | 1.44Å | |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.35Å | Aromatic |
| C11 | O12 | doub | 1.21Å | 1.21Å | |
| C29 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C54 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C54 | C49 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.41Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | N39 | sing | 1.47Å | 1.45Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| S48 | C49 | sing | 1.76Å | 1.81Å | |
| S48 | N47 | sing | 1.66Å | 1.71Å | |
| S48 | O55 | doub | 1.42Å | 1.45Å | |
| C40 | N39 | sing | 1.50Å | 1.27Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C49 | C50 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.41Å | Aromatic |
| N39 | C42 | sing | 1.47Å | 1.38Å | |
| C37 | N36 | sing | 1.51Å | 1.37Å | |
| C32 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | N33 | sing | 1.40Å | 1.43Å | |
| C50 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| N33 | C34 | sing | 1.35Å | 1.44Å | |
| C18 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| N36 | C35 | sing | 1.52Å | 1.34Å | |
| N36 | C43 | sing | 1.51Å | 1.37Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C34 | O44 | doub | 1.21Å | 1.17Å | |
| C34 | C35 | sing | 1.51Å | 1.57Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.56Å | |
| C22 | N23 | sing | 1.47Å | 1.51Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 1.01Å | 1.00Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N47 | H471 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C06 | 120.0° | 120.1° |
| C14 | C13 | C09 | 120.9° | 119.7° |
| C14 | C13 | H131 | 119.5° | 120.1° |
| C13 | C14 | H141 | 120.0° | 119.9° |
| C14 | C06 | C05 | 119.0° | 119.9° |
| C14 | C06 | C07 | 119.2° | 120.3° |
| C06 | C14 | H141 | 120.0° | 120.0° |
| C13 | C09 | N10 | 115.9° | 118.4° |
| C13 | C09 | C08 | 119.7° | 119.6° |
| C09 | C13 | H131 | 119.6° | 120.2° |
| C06 | C05 | C04 | 107.5° | 109.7° |
| C05 | C06 | C07 | 121.8° | 119.8° |
| C06 | C05 | H051 | 110.0° | 109.4° |
| C06 | C05 | H052 | 110.0° | 109.4° |
| C05 | C04 | N03 | 111.9° | 108.9° |
| C05 | C04 | C15 | 110.4° | 109.6° |
| C05 | C04 | H041 | 109.9° | 109.6° |
| C04 | C05 | H051 | 110.0° | 109.4° |
| C04 | C05 | H052 | 110.0° | 109.4° |
| C06 | C07 | C08 | 121.4° | 119.8° |
| C06 | C07 | H071 | 119.3° | 120.0° |
| N10 | C09 | C08 | 124.3° | 122.0° |
| C09 | N10 | C11 | 128.1° | 127.4° |
| C09 | N10 | H101 | 115.9° | 116.3° |
| C09 | C08 | C07 | 118.8° | 120.3° |
| C09 | C08 | H081 | 120.6° | 119.8° |
| N10 | C11 | C41 | 112.7° | 123.1° |
| N10 | C11 | O12 | 122.9° | 118.4° |
| C11 | N10 | H101 | 115.9° | 116.3° |
| O26 | C15 | C04 | 123.8° | 120.0° |
| O26 | C15 | N16 | 120.4° | 120.0° |
| C27 | C28 | C29 | 115.2° | 109.5° |
| C28 | C27 | C02 | 113.9° | 109.4° |
| C28 | C27 | N47 | 112.3° | 109.5° |
| C28 | C27 | H271 | 108.6° | 109.5° |
| C27 | C28 | H281 | 108.0° | 109.4° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C28 | C29 | C30 | 118.9° | 119.8° |
| C28 | C29 | C46 | 119.3° | 120.1° |
| C29 | C28 | H281 | 108.0° | 109.4° |
| C29 | C28 | H282 | 108.0° | 109.5° |
| C04 | N03 | C02 | 120.0° | 115.5° |
| N03 | C04 | C15 | 103.9° | 109.6° |
| N03 | C04 | H041 | 111.1° | 109.5° |
| C04 | N03 | H031 | 120.0° | 122.3° |
| N03 | C02 | C27 | 116.0° | 118.5° |
| N03 | C02 | O01 | 120.6° | 120.7° |
| C02 | N03 | H031 | 120.0° | 122.3° |
| O56 | S48 | C49 | 111.5° | 106.4° |
| O56 | S48 | N47 | 107.1° | 106.4° |
| O56 | S48 | O55 | 112.4° | 123.1° |
| C04 | C15 | N16 | 115.8° | 120.0° |
| C15 | C04 | H041 | 109.5° | 109.6° |
| C11 | C41 | C40 | 115.5° | 109.2° |
| C41 | C11 | O12 | 124.4° | 118.5° |
| C11 | C41 | H411 | 107.9° | 109.5° |
| C11 | C41 | H412 | 107.9° | 109.5° |
| C41 | C40 | N39 | 117.0° | 109.0° |
| C41 | C40 | H401 | 107.6° | 109.5° |
| C41 | C40 | H402 | 107.6° | 109.6° |
| C40 | C41 | H411 | 107.9° | 109.5° |
| C40 | C41 | H412 | 107.9° | 109.5° |
| C15 | N16 | C17 | 123.6° | 120.0° |
| C15 | N16 | H161 | 118.2° | 120.0° |
| C08 | C07 | H071 | 119.3° | 120.1° |
| C07 | C08 | H081 | 120.6° | 119.8° |
| C02 | C27 | N47 | 104.2° | 109.5° |
| C27 | C02 | O01 | 123.5° | 120.8° |
| C02 | C27 | H271 | 108.4° | 109.5° |
| C27 | N47 | S48 | 116.8° | 120.0° |
| N47 | C27 | H271 | 109.4° | 109.5° |
| C27 | N47 | H471 | 107.6° | 120.0° |
| C29 | C30 | C31 | 117.9° | 120.2° |
| C30 | C29 | C46 | 121.9° | 120.1° |
| C29 | C30 | H301 | 121.1° | 120.0° |
| C30 | C31 | C32 | 120.3° | 119.8° |
| C31 | C30 | H301 | 121.1° | 119.9° |
| C30 | C31 | H311 | 119.9° | 120.1° |
| C29 | C46 | C45 | 120.0° | 120.0° |
| C29 | C46 | H461 | 120.1° | 120.0° |
| C53 | C54 | C49 | 120.2° | 120.0° |
| C54 | C53 | C52 | 120.0° | 120.0° |
| C54 | C53 | H531 | 120.0° | 120.0° |
| C53 | C54 | H541 | 119.9° | 120.0° |
| C54 | C49 | S48 | 119.7° | 120.0° |
| C54 | C49 | C50 | 120.1° | 120.0° |
| C49 | C54 | H541 | 119.9° | 120.0° |
| C53 | C52 | C51 | 119.2° | 120.0° |
| C53 | C52 | H521 | 120.4° | 120.0° |
| C52 | C53 | H531 | 120.0° | 120.0° |
| N16 | C17 | C18 | 103.3° | 109.5° |
| N16 | C17 | H172 | 111.0° | 109.5° |
| N16 | C17 | H171 | 111.0° | 109.4° |
| C17 | N16 | H161 | 118.2° | 119.9° |
| C31 | C32 | C45 | 122.7° | 119.9° |
| C31 | C32 | N33 | 111.7° | 119.7° |
| C32 | C31 | H311 | 119.8° | 120.1° |
| N39 | C38 | C37 | 113.0° | 107.4° |
| C38 | N39 | C40 | 119.2° | 112.0° |
| C38 | N39 | C42 | 111.9° | 110.8° |
| N39 | C38 | H381 | 108.6° | 109.9° |
| N39 | C38 | H382 | 108.6° | 109.9° |
| C38 | C37 | N36 | 111.9° | 107.8° |
| C38 | C37 | H371 | 108.9° | 109.8° |
| C38 | C37 | H372 | 108.9° | 109.8° |
| C37 | C38 | H381 | 108.6° | 109.8° |
| C37 | C38 | H382 | 108.6° | 109.9° |
| C49 | S48 | N47 | 111.2° | 107.2° |
| C49 | S48 | O55 | 107.0° | 106.4° |
| S48 | C49 | C50 | 120.1° | 120.0° |
| N47 | S48 | O55 | 107.6° | 106.4° |
| S48 | N47 | H471 | 107.6° | 120.0° |
| C40 | N39 | C42 | 112.7° | 112.2° |
| N39 | C40 | H401 | 107.6° | 109.6° |
| N39 | C40 | H402 | 107.6° | 109.6° |
| C17 | C18 | C25 | 120.9° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C18 | C17 | H172 | 111.0° | 109.5° |
| C18 | C17 | H171 | 111.0° | 109.5° |
| C49 | C50 | C51 | 119.8° | 120.0° |
| C49 | C50 | H501 | 120.1° | 120.0° |
| C46 | C45 | C32 | 117.3° | 120.0° |
| C46 | C45 | H451 | 121.4° | 120.0° |
| C45 | C46 | H461 | 120.0° | 120.0° |
| C52 | C51 | C50 | 120.7° | 120.0° |
| C52 | C51 | H511 | 119.6° | 120.0° |
| C51 | C52 | H521 | 120.4° | 119.9° |
| N39 | C42 | C43 | 112.0° | 107.4° |
| N39 | C42 | H422 | 108.8° | 109.9° |
| N39 | C42 | H421 | 108.8° | 109.9° |
| C37 | N36 | C35 | 114.6° | 102.5° |
| C37 | N36 | C43 | 108.8° | 106.7° |
| N36 | C37 | H371 | 108.9° | 109.7° |
| N36 | C37 | H372 | 108.8° | 109.8° |
| C45 | C32 | N33 | 125.4° | 120.4° |
| C32 | C45 | H451 | 121.3° | 120.0° |
| C32 | N33 | C34 | 127.2° | 119.9° |
| C32 | N33 | H331 | 116.4° | 120.0° |
| C51 | C50 | H501 | 120.1° | 120.0° |
| C50 | C51 | H511 | 119.7° | 120.0° |
| N33 | C34 | O44 | 123.3° | 120.0° |
| N33 | C34 | C35 | 110.5° | 120.1° |
| C34 | N33 | H331 | 116.4° | 120.1° |
| C25 | C18 | C19 | 118.5° | 120.0° |
| C18 | C25 | C24 | 121.5° | 120.0° |
| C18 | C25 | H251 | 119.3° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | H191 | 119.8° | 120.0° |
| C25 | C24 | C21 | 119.6° | 120.0° |
| C25 | C24 | H241 | 120.2° | 120.0° |
| C24 | C25 | H251 | 119.2° | 120.0° |
| C35 | N36 | C43 | 112.8° | 102.5° |
| N36 | C35 | C34 | 111.3° | 106.5° |
| N36 | C35 | H351 | 109.0° | 110.0° |
| N36 | C35 | H352 | 109.0° | 110.1° |
| N36 | C43 | C42 | 115.0° | 107.7° |
| N36 | C43 | H431 | 108.1° | 109.8° |
| N36 | C43 | H432 | 108.1° | 109.9° |
| C43 | C42 | H422 | 108.8° | 109.8° |
| C43 | C42 | H421 | 108.9° | 109.9° |
| C42 | C43 | H431 | 108.1° | 109.8° |
| C42 | C43 | H432 | 108.1° | 109.8° |
| O44 | C34 | C35 | 126.2° | 119.9° |
| C34 | C35 | H351 | 109.0° | 110.0° |
| C34 | C35 | H352 | 109.0° | 110.1° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | H191 | 119.9° | 120.0° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| C24 | C21 | C20 | 119.8° | 120.0° |
| C24 | C21 | C22 | 117.8° | 120.0° |
| C21 | C24 | H241 | 120.2° | 120.0° |
| C20 | C21 | C22 | 122.3° | 120.0° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C21 | C22 | N23 | 111.2° | 109.5° |
| C21 | C22 | H222 | 109.0° | 109.5° |
| C21 | C22 | H221 | 109.0° | 109.5° |
| N23 | C22 | H222 | 109.0° | 109.5° |
| N23 | C22 | H221 | 109.0° | 109.4° |
| C22 | N23 | H231 | 109.5° | 111.0° |
| C22 | N23 | H232 | 109.5° | 111.0° |
| H051 | C05 | H052 | 109.4° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 110.1° |
| H371 | C37 | H372 | 109.5° | 109.8° |
| H381 | C38 | H382 | 109.5° | 109.9° |
| H401 | C40 | H402 | 109.5° | 109.6° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.9° |
| H431 | C43 | H432 | 109.4° | 109.8° |
| H231 | N23 | H232 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C06 | H141 | 180.0° | 179.9° |
| C14 | C13 | C09 | H131 | 180.0° | 180.0° |
| C13 | C14 | C06 | C05 | 179.0° | 178.7° |
| C13 | C14 | C06 | C07 | 0.1° | 2.0° |
| C14 | C13 | C09 | N10 | 179.7° | 177.7° |
| C14 | C13 | C09 | C08 | 2.0° | 2.3° |
| C06 | C14 | C13 | C09 | 1.0° | 0.1° |
| C14 | C06 | C05 | C07 | 179.1° | 179.3° |
| C14 | C06 | C05 | C04 | 112.8° | 132.3° |
| C14 | C06 | C07 | C08 | 0.1° | 2.0° |
| C14 | C06 | C05 | H051 | 127.5° | 12.2° |
| C14 | C06 | C05 | H052 | 6.9° | 107.7° |
| C14 | C06 | C07 | H071 | 179.9° | 178.1° |
| C06 | C14 | C13 | H131 | 178.9° | 179.9° |
| C13 | C09 | N10 | C08 | 177.6° | 179.9° |
| C13 | C09 | N10 | C11 | 174.0° | 91.5° |
| C13 | C09 | C08 | C07 | 2.0° | 2.4° |
| C13 | C09 | C08 | H081 | 178.0° | 177.7° |
| C09 | C13 | C14 | H141 | 179.0° | 179.8° |
| C13 | C09 | N10 | H101 | 6.0° | 88.6° |
| C06 | C05 | C04 | H051 | 119.7° | 120.1° |
| C06 | C05 | C04 | H052 | 119.7° | 120.0° |
| C06 | C05 | C04 | N03 | 82.3° | 92.1° |
| C06 | C05 | C04 | C15 | 162.5° | 148.0° |
| C05 | C06 | C07 | C08 | 179.0° | 178.7° |
| C06 | C05 | C04 | H041 | 41.6° | 27.7° |
| C06 | C05 | H051 | H052 | 120.9° | 119.9° |
| C05 | C06 | C07 | H071 | 1.0° | 1.2° |
| C05 | C06 | C14 | H141 | 0.9° | 1.3° |
| C04 | C05 | C06 | C07 | 68.1° | 47.0° |
| C05 | C04 | C15 | O26 | 92.4° | 99.6° |
| C05 | C04 | N03 | C15 | 119.1° | 119.9° |
| C05 | C04 | N03 | H041 | 123.3° | 119.9° |
| C05 | C04 | N03 | C02 | 173.5° | 177.3° |
| C05 | C04 | C15 | H041 | 121.1° | 120.3° |
| C05 | C04 | C15 | N16 | 86.9° | 80.3° |
| C04 | C05 | H051 | H052 | 120.9° | 119.9° |
| C05 | C04 | N03 | H031 | 6.5° | 2.6° |
| C06 | C07 | C08 | C09 | 1.1° | 0.3° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C07 | C06 | C05 | H051 | 51.6° | 167.1° |
| C07 | C06 | C05 | H052 | 172.2° | 73.0° |
| C06 | C07 | C08 | H081 | 178.9° | 179.8° |
| C07 | C06 | C14 | H141 | 179.9° | 178.0° |
| C09 | N10 | C11 | H101 | 180.0° | 180.0° |
| C09 | N10 | C11 | C41 | 178.7° | 1.8° |
| N10 | C09 | C08 | C07 | 179.5° | 177.7° |
| C09 | N10 | C11 | O12 | 2.1° | 178.2° |
| N10 | C09 | C08 | H081 | 0.5° | 2.3° |
| N10 | C09 | C13 | H131 | 0.3° | 2.2° |
| C08 | C09 | N10 | C11 | 3.5° | 88.5° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | H071 | 178.9° | 179.7° |
| C08 | C09 | C13 | H131 | 178.0° | 177.7° |
| C08 | C09 | N10 | H101 | 176.4° | 91.5° |
| N10 | C11 | C41 | O12 | 179.2° | 180.0° |
| N10 | C11 | C41 | C40 | 136.8° | 167.4° |
| N10 | C11 | C41 | H411 | 16.0° | 47.4° |
| N10 | C11 | C41 | H412 | 102.3° | 72.7° |
| O26 | C15 | C04 | N03 | 27.7° | 19.8° |
| O26 | C15 | C04 | N16 | 179.2° | 179.9° |
| O26 | C15 | N16 | C17 | 5.3° | 0.1° |
| O26 | C15 | C04 | H041 | 146.5° | 140.0° |
| O26 | C15 | N16 | H161 | 174.7° | 180.0° |
| C27 | C28 | C29 | H281 | 120.8° | 120.0° |
| C27 | C28 | C29 | H282 | 120.8° | 120.0° |
| C28 | C27 | C02 | N03 | 53.3° | 164.7° |
| C28 | C27 | C02 | N47 | 122.7° | 120.0° |
| C28 | C27 | C02 | H271 | 120.9° | 120.0° |
| C28 | C27 | N47 | H271 | 120.6° | 120.0° |
| C27 | C28 | C29 | C30 | 93.9° | 148.6° |
| C27 | C28 | C29 | C46 | 86.8° | 31.4° |
| C28 | C27 | C02 | O01 | 127.9° | 15.6° |
| C28 | C27 | N47 | S48 | 105.7° | 145.0° |
| C27 | C28 | H281 | H282 | 117.4° | 120.0° |
| C28 | C27 | N47 | H471 | 15.4° | 34.9° |
| C29 | C28 | C27 | C02 | 54.3° | 91.6° |
| C29 | C28 | C27 | N47 | 63.8° | 148.4° |
| C28 | C29 | C30 | C46 | 179.3° | 179.9° |
| C28 | C29 | C30 | C31 | 179.1° | 180.0° |
| C28 | C29 | C46 | C45 | 179.2° | 180.0° |
| C29 | C28 | C27 | H271 | 175.1° | 28.4° |
| C29 | C28 | H281 | H282 | 117.4° | 120.0° |
| C28 | C29 | C30 | H301 | 0.9° | 0.0° |
| C28 | C29 | C46 | H461 | 0.8° | 0.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| N03 | C04 | C15 | H041 | 118.8° | 120.2° |
| N03 | C04 | C15 | N16 | 153.1° | 160.3° |
| C04 | N03 | C02 | C27 | 175.0° | 178.7° |
| C04 | N03 | C02 | O01 | 3.8° | 1.6° |
| N03 | C04 | C05 | H051 | 157.9° | 28.0° |
| N03 | C04 | C05 | H052 | 37.4° | 147.9° |
| C02 | N03 | C04 | C15 | 67.4° | 62.8° |
| N03 | C02 | C27 | O01 | 178.7° | 179.7° |
| N03 | C02 | C27 | N47 | 176.0° | 75.3° |
| C02 | N03 | C04 | H041 | 50.2° | 57.5° |
| N03 | C02 | C27 | H271 | 67.6° | 44.7° |
| O56 | S48 | N47 | C27 | 40.2° | 178.5° |
| O56 | S48 | C49 | C54 | 34.6° | 156.2° |
| O56 | S48 | C49 | N47 | 119.4° | 113.5° |
| O56 | S48 | C49 | O55 | 123.3° | 132.9° |
| O56 | S48 | N47 | O55 | 121.1° | 132.9° |
| O56 | S48 | C49 | C50 | 149.9° | 23.5° |
| O56 | S48 | N47 | H471 | 80.9° | 1.5° |
| C04 | C15 | N16 | C17 | 175.4° | 180.0° |
| C15 | C04 | C05 | H051 | 42.8° | 91.9° |
| C15 | C04 | C05 | H052 | 77.8° | 28.0° |
| C15 | C04 | N03 | H031 | 112.6° | 117.2° |
| C04 | C15 | N16 | H161 | 4.6° | 0.1° |
| C11 | C41 | C40 | H411 | 120.9° | 119.9° |
| C11 | C41 | C40 | H412 | 120.9° | 119.9° |
| C11 | C41 | C40 | N39 | 69.2° | 165.6° |
| C11 | C41 | C40 | H401 | 169.7° | 74.6° |
| C11 | C41 | C40 | H402 | 51.9° | 45.7° |
| C11 | C41 | H411 | H412 | 117.3° | 120.1° |
| C41 | C11 | N10 | H101 | 1.3° | 178.2° |
| C40 | C41 | C11 | O12 | 42.4° | 12.7° |
| C41 | C40 | N39 | C38 | 25.6° | 133.8° |
| C41 | C40 | N39 | H401 | 121.1° | 119.8° |
| C41 | C40 | N39 | H402 | 121.1° | 119.9° |
| C41 | C40 | N39 | C42 | 108.6° | 100.9° |
| C41 | C40 | H401 | H402 | 116.6° | 120.2° |
| C40 | C41 | H411 | H412 | 117.3° | 120.2° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 104.0° | 180.0° |
| N16 | C15 | C04 | H041 | 34.3° | 40.0° |
| C15 | N16 | C17 | H172 | 137.0° | 59.9° |
| C15 | N16 | C17 | H171 | 15.0° | 60.0° |
| C02 | C27 | N47 | H271 | 115.7° | 120.0° |
| C02 | C27 | N47 | S48 | 130.5° | 95.0° |
| C02 | C27 | C28 | H281 | 175.2° | 28.3° |
| C02 | C27 | C28 | H282 | 66.5° | 148.3° |
| C27 | C02 | N03 | H031 | 5.0° | 1.3° |
| C02 | C27 | N47 | H471 | 108.4° | 85.0° |
| N47 | C27 | C02 | O01 | 5.3° | 104.4° |
| C27 | N47 | S48 | C49 | 81.9° | 65.0° |
| C27 | N47 | S48 | H471 | 121.1° | 180.0° |
| C27 | N47 | S48 | O55 | 161.3° | 48.6° |
| N47 | C27 | C28 | H281 | 57.0° | 91.6° |
| N47 | C27 | C28 | H282 | 175.3° | 28.4° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.5° | 0.4° |
| C30 | C29 | C46 | C45 | 0.1° | 0.1° |
| C30 | C29 | C28 | H281 | 145.3° | 28.7° |
| C30 | C29 | C28 | H282 | 27.0° | 91.3° |
| C29 | C30 | C31 | H311 | 178.5° | 179.6° |
| C30 | C29 | C46 | H461 | 179.9° | 179.9° |
| C31 | C30 | C29 | C46 | 0.2° | 0.1° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C45 | 2.8° | 0.6° |
| C30 | C31 | C32 | N33 | 178.1° | 179.9° |
| O12 | C11 | C41 | H411 | 163.3° | 132.6° |
| O12 | C11 | C41 | H412 | 78.5° | 107.3° |
| O12 | C11 | N10 | H101 | 177.9° | 1.8° |
| C29 | C46 | C45 | H461 | 180.0° | 180.0° |
| C29 | C46 | C45 | C32 | 1.3° | 0.4° |
| C46 | C29 | C28 | H281 | 34.1° | 151.4° |
| C46 | C29 | C28 | H282 | 152.4° | 88.6° |
| C46 | C29 | C30 | H301 | 179.7° | 179.9° |
| C29 | C46 | C45 | H451 | 178.8° | 179.7° |
| O01 | C02 | C27 | H271 | 111.1° | 135.6° |
| O01 | C02 | N03 | H031 | 176.3° | 178.4° |
| C53 | C54 | C49 | H541 | 180.0° | 180.0° |
| C54 | C53 | C52 | H531 | 180.0° | 180.0° |
| C53 | C54 | C49 | S48 | 178.6° | 179.7° |
| C53 | C54 | C49 | C50 | 3.1° | 0.0° |
| C54 | C53 | C52 | C51 | 0.6° | 0.0° |
| C54 | C53 | C52 | H521 | 179.4° | 180.0° |
| C49 | C54 | C53 | C52 | 1.6° | 0.0° |
| C54 | C49 | S48 | C50 | 175.5° | 179.7° |
| C54 | C49 | S48 | N47 | 154.1° | 90.3° |
| C54 | C49 | S48 | O55 | 88.7° | 23.3° |
| C54 | C49 | C50 | C51 | 3.7° | 0.0° |
| C54 | C49 | C50 | H501 | 176.3° | 180.0° |
| C49 | C54 | C53 | H531 | 178.4° | 180.0° |
| C53 | C52 | C51 | H521 | 180.0° | 180.0° |
| C53 | C52 | C51 | C50 | 1.2° | 0.0° |
| C53 | C52 | C51 | H511 | 178.8° | 180.0° |
| C52 | C53 | C54 | H541 | 178.4° | 180.0° |
| N16 | C17 | C18 | H172 | 119.0° | 120.0° |
| N16 | C17 | C18 | H171 | 119.0° | 119.9° |
| N16 | C17 | C18 | C25 | 59.1° | 89.9° |
| N16 | C17 | C18 | C19 | 120.4° | 89.8° |
| N16 | C17 | H172 | H171 | 122.8° | 119.9° |
| C31 | C32 | C45 | C46 | 2.6° | 0.6° |
| C31 | C32 | C45 | N33 | 174.7° | 179.5° |
| C31 | C32 | N33 | C34 | 153.2° | 177.7° |
| C32 | C31 | C30 | H301 | 178.5° | 179.6° |
| C31 | C32 | C45 | H451 | 177.4° | 179.4° |
| C31 | C32 | N33 | H331 | 26.8° | 2.3° |
| N39 | C38 | C37 | H381 | 120.5° | 119.5° |
| N39 | C38 | C37 | H382 | 120.5° | 119.5° |
| C38 | N39 | C40 | C42 | 134.3° | 125.3° |
| N39 | C38 | C37 | N36 | 53.9° | 63.0° |
| C38 | N39 | C42 | C43 | 45.8° | 63.0° |
| N39 | C38 | C37 | H371 | 174.3° | 177.5° |
| N39 | C38 | C37 | H372 | 66.4° | 56.6° |
| N39 | C38 | H381 | H382 | 118.4° | 121.1° |
| C38 | N39 | C40 | H401 | 95.5° | 106.4° |
| C38 | N39 | C40 | H402 | 146.7° | 13.9° |
| C38 | N39 | C42 | H422 | 166.2° | 56.4° |
| C38 | N39 | C42 | H421 | 74.6° | 177.5° |
| C37 | C38 | N39 | C40 | 177.8° | 171.0° |
| C37 | C38 | N39 | C42 | 47.6° | 63.0° |
| C38 | C37 | N36 | H371 | 120.4° | 119.6° |
| C38 | C37 | N36 | H372 | 120.4° | 119.7° |
| C38 | C37 | N36 | C35 | 175.2° | 171.8° |
| C38 | C37 | N36 | C43 | 57.4° | 64.5° |
| C38 | C37 | H371 | H372 | 118.9° | 120.9° |
| C37 | C38 | H381 | H382 | 118.4° | 121.0° |
| C49 | S48 | N47 | O55 | 116.9° | 113.6° |
| S48 | C49 | C50 | C51 | 179.1° | 179.7° |
| S48 | C49 | C50 | H501 | 0.9° | 0.3° |
| S48 | C49 | C54 | H541 | 1.4° | 0.2° |
| C49 | S48 | N47 | H471 | 157.0° | 115.0° |
| N47 | S48 | C49 | C50 | 30.5° | 90.0° |
| S48 | N47 | C27 | H271 | 14.9° | 25.0° |
| O55 | S48 | C49 | C50 | 86.8° | 156.4° |
| O55 | S48 | N47 | H471 | 40.2° | 131.4° |
| C40 | N39 | C42 | C43 | 176.5° | 171.0° |
| C40 | N39 | C38 | H381 | 61.7° | 51.5° |
| C40 | N39 | C38 | H382 | 57.3° | 69.6° |
| N39 | C40 | H401 | H402 | 116.6° | 120.3° |
| N39 | C40 | C41 | H411 | 51.7° | 45.7° |
| N39 | C40 | C41 | H412 | 169.9° | 74.5° |
| C40 | N39 | C42 | H422 | 56.2° | 69.5° |
| C40 | N39 | C42 | H421 | 63.1° | 51.5° |
| C17 | C18 | C25 | C19 | 179.6° | 179.7° |
| C17 | C18 | C25 | C24 | 179.4° | 179.8° |
| C17 | C18 | C19 | C20 | 179.5° | 180.0° |
| C18 | C17 | H172 | H171 | 122.9° | 120.0° |
| C17 | C18 | C19 | H191 | 0.5° | 0.0° |
| C17 | C18 | C25 | H251 | 0.6° | 0.1° |
| C18 | C17 | N16 | H161 | 76.0° | 0.0° |
| C49 | C50 | C51 | C52 | 2.7° | 0.0° |
| C49 | C50 | C51 | H501 | 180.0° | 180.0° |
| C49 | C50 | C51 | H511 | 177.3° | 180.0° |
| C50 | C49 | C54 | H541 | 176.9° | 180.0° |
| C46 | C45 | C32 | H451 | 180.0° | 179.9° |
| C46 | C45 | C32 | N33 | 177.3° | 179.9° |
| C52 | C51 | C50 | H511 | 180.0° | 180.0° |
| C52 | C51 | C50 | H501 | 177.3° | 180.0° |
| C51 | C52 | C53 | H531 | 179.4° | 180.0° |
| N39 | C42 | C43 | N36 | 53.2° | 63.0° |
| N39 | C42 | C43 | H422 | 120.4° | 119.5° |
| N39 | C42 | C43 | H421 | 120.4° | 119.5° |
| C42 | N39 | C38 | H381 | 72.9° | 177.6° |
| C42 | N39 | C38 | H382 | 168.1° | 56.5° |
| C42 | N39 | C40 | H401 | 130.3° | 19.0° |
| C42 | N39 | C40 | H402 | 12.5° | 139.3° |
| N39 | C42 | H422 | H421 | 118.9° | 121.0° |
| N39 | C42 | C43 | H431 | 174.0° | 56.6° |
| N39 | C42 | C43 | H432 | 67.7° | 177.4° |
| C37 | N36 | C35 | C43 | 125.3° | 110.5° |
| C37 | N36 | C43 | C42 | 57.9° | 64.5° |
| C37 | N36 | C35 | C34 | 82.6° | 74.6° |
| C37 | N36 | C35 | H351 | 37.6° | 44.6° |
| C37 | N36 | C35 | H352 | 157.1° | 166.1° |
| N36 | C37 | H371 | H372 | 118.9° | 120.8° |
| N36 | C37 | C38 | H381 | 66.6° | 177.5° |
| N36 | C37 | C38 | H382 | 174.5° | 56.5° |
| C37 | N36 | C43 | H431 | 178.7° | 55.1° |
| C37 | N36 | C43 | H432 | 62.9° | 176.0° |
| C45 | C32 | N33 | C34 | 22.0° | 2.8° |
| C45 | C32 | C31 | H311 | 177.2° | 179.3° |
| C32 | C45 | C46 | H461 | 178.7° | 179.6° |
| C45 | C32 | N33 | H331 | 158.0° | 177.2° |
| C32 | N33 | C34 | H331 | 180.0° | 180.0° |
| C32 | N33 | C34 | O44 | 5.0° | 5.0° |
| C32 | N33 | C34 | C35 | 176.1° | 175.0° |
| N33 | C32 | C31 | H311 | 1.9° | 0.2° |
| N33 | C32 | C45 | H451 | 2.7° | 0.1° |
| C50 | C51 | C52 | H521 | 178.8° | 180.0° |
| N33 | C34 | C35 | N36 | 29.2° | 119.5° |
| N33 | C34 | O44 | C35 | 178.6° | 180.0° |
| N33 | C34 | C35 | H351 | 149.5° | 0.3° |
| N33 | C34 | C35 | H352 | 91.1° | 121.2° |
| C18 | C25 | C24 | H251 | 180.0° | 179.7° |
| C25 | C18 | C19 | C20 | 0.9° | 0.3° |
| C18 | C25 | C24 | C21 | 1.3° | 0.4° |
| C25 | C18 | C17 | H172 | 178.2° | 150.0° |
| C25 | C18 | C17 | H171 | 59.9° | 30.0° |
| C25 | C18 | C19 | H191 | 179.1° | 179.7° |
| C18 | C25 | C24 | H241 | 178.7° | 179.7° |
| C19 | C18 | C25 | C24 | 1.0° | 0.5° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.2° | 0.0° |
| C19 | C18 | C17 | H172 | 1.4° | 30.2° |
| C19 | C18 | C17 | H171 | 120.6° | 150.3° |
| C18 | C19 | C20 | H201 | 178.9° | 180.0° |
| C19 | C18 | C25 | H251 | 179.0° | 179.8° |
| C25 | C24 | C21 | H241 | 180.0° | 179.9° |
| C25 | C24 | C21 | C20 | 1.5° | 0.1° |
| C25 | C24 | C21 | C22 | 179.7° | 179.8° |
| C35 | N36 | C43 | C42 | 173.7° | 171.8° |
| N36 | C35 | C34 | O44 | 152.0° | 60.5° |
| N36 | C35 | C34 | H351 | 120.3° | 119.2° |
| N36 | C35 | C34 | H352 | 120.3° | 119.3° |
| N36 | C35 | H351 | H352 | 119.2° | 121.5° |
| C35 | N36 | C37 | H371 | 54.9° | 68.6° |
| C35 | N36 | C37 | H372 | 64.4° | 52.2° |
| C35 | N36 | C43 | H431 | 52.9° | 52.2° |
| C35 | N36 | C43 | H432 | 65.4° | 68.6° |
| N36 | C43 | C42 | H431 | 120.8° | 119.6° |
| N36 | C43 | C42 | H432 | 120.8° | 119.6° |
| C43 | N36 | C35 | C34 | 152.1° | 35.9° |
| C43 | N36 | C35 | H351 | 87.6° | 155.1° |
| C43 | N36 | C35 | H352 | 31.8° | 83.4° |
| C43 | N36 | C37 | H371 | 177.8° | 175.9° |
| C43 | N36 | C37 | H372 | 63.0° | 55.1° |
| N36 | C43 | C42 | H422 | 173.5° | 56.5° |
| N36 | C43 | C42 | H421 | 67.2° | 177.5° |
| N36 | C43 | H431 | H432 | 117.5° | 120.9° |
| C43 | C42 | H422 | H421 | 118.9° | 121.0° |
| C42 | C43 | H431 | H432 | 117.5° | 120.8° |
| O44 | C34 | C35 | H351 | 31.7° | 179.7° |
| O44 | C34 | C35 | H352 | 87.7° | 58.8° |
| O44 | C34 | N33 | H331 | 175.0° | 175.0° |
| C34 | C35 | H351 | H352 | 119.1° | 121.5° |
| C35 | C34 | N33 | H331 | 3.9° | 5.0° |
| C19 | C20 | C21 | C24 | 1.4° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.5° | 179.9° |
| C24 | C21 | C20 | C22 | 178.1° | 180.0° |
| C24 | C21 | C22 | N23 | 158.3° | 90.0° |
| C24 | C21 | C20 | H201 | 178.6° | 179.9° |
| C24 | C21 | C22 | H222 | 81.5° | 30.0° |
| C24 | C21 | C22 | H221 | 38.0° | 150.1° |
| C21 | C24 | C25 | H251 | 178.7° | 179.9° |
| C20 | C21 | C22 | N23 | 23.6° | 90.0° |
| C21 | C20 | C19 | H191 | 178.9° | 180.0° |
| C20 | C21 | C22 | H222 | 96.7° | 150.0° |
| C20 | C21 | C22 | H221 | 143.8° | 29.9° |
| C20 | C21 | C24 | H241 | 178.5° | 180.0° |
| C21 | C22 | N23 | H222 | 120.3° | 120.0° |
| C21 | C22 | N23 | H221 | 120.3° | 120.0° |
| C22 | C21 | C20 | H201 | 0.5° | 0.1° |
| C21 | C22 | H222 | H221 | 119.2° | 120.1° |
| C22 | C21 | C24 | H241 | 0.3° | 0.0° |
| C21 | C22 | N23 | H231 | 180.0° | 56.0° |
| C21 | C22 | N23 | H232 | 60.0° | 180.0° |
| N23 | C22 | H222 | H221 | 119.2° | 119.9° |
| C22 | N23 | H231 | H232 | 120.0° | 123.9° |
| H041 | C04 | C05 | H051 | 78.1° | 147.8° |
| H041 | C04 | C05 | H052 | 161.3° | 92.3° |
| H041 | C04 | N03 | H031 | 129.8° | 122.5° |
| H071 | C07 | C08 | H081 | 1.1° | 0.3° |
| H131 | C13 | C14 | H141 | 1.0° | 0.2° |
| H172 | C17 | N16 | H161 | 43.0° | 120.0° |
| H171 | C17 | N16 | H161 | 165.0° | 120.0° |
| H191 | C19 | C20 | H201 | 1.1° | 0.0° |
| H222 | C22 | N23 | H231 | 59.8° | 64.0° |
| H222 | C22 | N23 | H232 | 179.8° | 59.9° |
| H221 | C22 | N23 | H231 | 59.7° | 176.1° |
| H221 | C22 | N23 | H232 | 60.3° | 60.0° |
| H241 | C24 | C25 | H251 | 1.3° | 0.0° |
| H271 | C27 | C28 | H281 | 64.0° | 148.3° |
| H271 | C27 | C28 | H282 | 54.3° | 91.7° |
| H271 | C27 | N47 | H471 | 135.9° | 155.0° |
| H301 | C30 | C31 | H311 | 1.5° | 0.5° |
| H371 | C37 | C38 | H381 | 53.8° | 58.0° |
| H371 | C37 | C38 | H382 | 65.2° | 63.0° |
| H372 | C37 | C38 | H381 | 173.1° | 62.9° |
| H372 | C37 | C38 | H382 | 54.1° | 176.1° |
| H401 | C40 | C41 | H411 | 69.4° | 165.5° |
| H401 | C40 | C41 | H412 | 48.8° | 45.4° |
| H402 | C40 | C41 | H411 | 172.7° | 74.2° |
| H402 | C40 | C41 | H412 | 69.0° | 165.6° |
| H422 | C42 | C43 | H431 | 65.7° | 176.1° |
| H422 | C42 | C43 | H432 | 52.7° | 63.2° |
| H421 | C42 | C43 | H431 | 53.6° | 62.9° |
| H421 | C42 | C43 | H432 | 172.0° | 57.8° |
| H451 | C45 | C46 | H461 | 1.2° | 0.3° |
| H501 | C50 | C51 | H511 | 2.7° | 0.0° |
| H511 | C51 | C52 | H521 | 1.2° | 0.0° |
| H521 | C52 | C53 | H531 | 0.6° | 0.0° |
| H531 | C53 | C54 | H541 | 1.6° | 0.0° |
