GJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | doub | 1.21Å | 1.23Å | |
| O31 | C29 | sing | 1.34Å | 1.28Å | |
| C29 | C28 | sing | 1.51Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | sing | 1.54Å | 1.52Å | |
| C34 | N10 | sing | 1.48Å | 1.54Å | |
| C26 | O25 | sing | 1.43Å | 1.45Å | |
| C32 | N13 | sing | 1.48Å | 1.50Å | |
| O25 | C24 | sing | 1.36Å | 1.37Å | |
| C11 | N10 | sing | 1.40Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| N13 | C12 | sing | 1.45Å | 1.52Å | |
| N13 | C14 | sing | 1.40Å | 1.47Å | |
| N10 | C09 | sing | 1.47Å | 1.55Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C24 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.45Å | Aromatic |
| C08 | C35 | doub | 1.33Å | 1.35Å | Aromatic |
| C08 | N07 | sing | 1.32Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.49Å | |
| C22 | C21 | doub | 1.36Å | 1.36Å | Aromatic |
| C35 | S36 | sing | 1.76Å | 1.69Å | Aromatic |
| C15 | N16 | doub | 1.34Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| N16 | C17 | sing | 1.31Å | 1.32Å | Aromatic |
| N07 | C06 | doub | 1.30Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| S36 | C06 | sing | 1.71Å | 1.81Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | N05 | sing | 1.39Å | 1.39Å | |
| C19 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| N05 | C04 | sing | 1.47Å | 1.49Å | |
| N05 | C37 | sing | 1.47Å | 1.47Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C38 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | O31 | 126.1° | 120.0° |
| O30 | C29 | C28 | 119.8° | 120.0° |
| O31 | C29 | C28 | 114.1° | 120.0° |
| C29 | O31 | H1 | 109.5° | 117.0° |
| C29 | C28 | C27 | 111.9° | 109.4° |
| C29 | C28 | H281 | 108.9° | 109.5° |
| C29 | C28 | H282 | 108.8° | 109.4° |
| C28 | C27 | C26 | 111.4° | 109.4° |
| C28 | C27 | H272 | 109.0° | 109.5° |
| C28 | C27 | H271 | 109.0° | 109.5° |
| C27 | C28 | H281 | 108.8° | 109.5° |
| C27 | C28 | H282 | 108.9° | 109.5° |
| C27 | C26 | O25 | 109.7° | 109.5° |
| C27 | C26 | H261 | 109.4° | 109.5° |
| C27 | C26 | H262 | 109.4° | 109.5° |
| C26 | C27 | H272 | 109.0° | 109.5° |
| C26 | C27 | H271 | 109.0° | 109.5° |
| C34 | C33 | C32 | 113.9° | 112.0° |
| C33 | C34 | N10 | 111.2° | 108.8° |
| C34 | C33 | H331 | 108.3° | 109.0° |
| C34 | C33 | H332 | 108.4° | 109.0° |
| C33 | C34 | H341 | 109.1° | 109.6° |
| C33 | C34 | H342 | 109.1° | 109.6° |
| C33 | C32 | N13 | 117.0° | 112.3° |
| C33 | C32 | H321 | 107.5° | 109.0° |
| C33 | C32 | H322 | 107.6° | 108.9° |
| C32 | C33 | H331 | 108.4° | 109.0° |
| C32 | C33 | H332 | 108.4° | 109.0° |
| C34 | N10 | C11 | 107.9° | 112.7° |
| C34 | N10 | C09 | 112.2° | 108.8° |
| N10 | C34 | H341 | 109.0° | 109.6° |
| N10 | C34 | H342 | 109.0° | 109.5° |
| C34 | N10 | H101 | 107.9° | 108.8° |
| C26 | O25 | C24 | 118.1° | 117.0° |
| O25 | C26 | H261 | 109.4° | 109.5° |
| O25 | C26 | H262 | 109.4° | 109.4° |
| C32 | N13 | C12 | 114.4° | 113.6° |
| C32 | N13 | C14 | 112.8° | 111.0° |
| N13 | C32 | H321 | 107.6° | 108.9° |
| N13 | C32 | H322 | 107.5° | 108.9° |
| O25 | C24 | C14 | 120.1° | 119.7° |
| O25 | C24 | C22 | 119.5° | 119.6° |
| N10 | C11 | C12 | 116.7° | 112.3° |
| C11 | N10 | C09 | 112.8° | 108.8° |
| N10 | C11 | H111 | 107.6° | 109.0° |
| N10 | C11 | H112 | 107.6° | 108.9° |
| C11 | N10 | H101 | 108.0° | 108.9° |
| C11 | C12 | N13 | 120.3° | 108.8° |
| C12 | C11 | H111 | 107.6° | 108.9° |
| C12 | C11 | H112 | 107.6° | 108.9° |
| C11 | C12 | H121 | 106.7° | 109.6° |
| C11 | C12 | H122 | 106.7° | 109.6° |
| C12 | N13 | C14 | 111.4° | 111.0° |
| N13 | C12 | H121 | 106.7° | 109.5° |
| N13 | C12 | H122 | 106.7° | 109.6° |
| N13 | C14 | C24 | 124.2° | 120.2° |
| N13 | C14 | C15 | 118.3° | 120.3° |
| N10 | C09 | C08 | 116.7° | 109.5° |
| N10 | C09 | H092 | 107.6° | 109.5° |
| N10 | C09 | H091 | 107.7° | 109.5° |
| C09 | N10 | H101 | 107.8° | 108.7° |
| C09 | C08 | C35 | 121.6° | 122.7° |
| C09 | C08 | N07 | 121.9° | 122.7° |
| C08 | C09 | H092 | 107.6° | 109.5° |
| C08 | C09 | H091 | 107.6° | 109.4° |
| C14 | C24 | C22 | 120.4° | 120.8° |
| C24 | C14 | C15 | 117.5° | 119.5° |
| C24 | C22 | C23 | 122.6° | 119.6° |
| C24 | C22 | C21 | 120.6° | 120.9° |
| C14 | C15 | N16 | 121.2° | 121.0° |
| C14 | C15 | C20 | 120.8° | 119.1° |
| C35 | C08 | N07 | 116.5° | 114.6° |
| C08 | C35 | S36 | 112.1° | 108.1° |
| C08 | C35 | H351 | 123.9° | 125.9° |
| C08 | N07 | C06 | 109.2° | 116.8° |
| C23 | C22 | C21 | 116.8° | 119.6° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C21 | C20 | 121.5° | 120.0° |
| C22 | C21 | H211 | 119.3° | 120.0° |
| C35 | S36 | C06 | 89.9° | 90.3° |
| S36 | C35 | H351 | 124.0° | 125.9° |
| N16 | C15 | C20 | 118.0° | 119.8° |
| C15 | N16 | C17 | 120.2° | 121.3° |
| C15 | C20 | C21 | 119.3° | 119.7° |
| C15 | C20 | C19 | 120.1° | 118.9° |
| N16 | C17 | C18 | 124.4° | 121.7° |
| N16 | C17 | H171 | 117.8° | 119.1° |
| N07 | C06 | S36 | 112.3° | 110.1° |
| N07 | C06 | N05 | 128.3° | 124.9° |
| C21 | C20 | C19 | 120.6° | 121.3° |
| C20 | C21 | H211 | 119.3° | 120.0° |
| C20 | C19 | C18 | 120.8° | 118.2° |
| C20 | C19 | H191 | 119.6° | 120.9° |
| S36 | C06 | N05 | 119.3° | 124.9° |
| C17 | C18 | C19 | 116.5° | 119.9° |
| C18 | C17 | H171 | 117.8° | 119.1° |
| C17 | C18 | H181 | 121.8° | 120.0° |
| C06 | N05 | C04 | 111.6° | 111.0° |
| C06 | N05 | C37 | 114.6° | 111.0° |
| C19 | C18 | H181 | 121.7° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.9° |
| C04 | N05 | C37 | 110.5° | 111.1° |
| N05 | C04 | C03 | 110.5° | 109.5° |
| N05 | C04 | H041 | 109.2° | 109.5° |
| N05 | C04 | H042 | 109.2° | 109.4° |
| N05 | C37 | C38 | 110.1° | 109.5° |
| N05 | C37 | H372 | 109.3° | 109.5° |
| N05 | C37 | H371 | 109.3° | 109.4° |
| C04 | C03 | C02 | 111.5° | 109.2° |
| C04 | C03 | H031 | 108.9° | 109.5° |
| C04 | C03 | H032 | 108.9° | 109.6° |
| C03 | C04 | H041 | 109.2° | 109.5° |
| C03 | C04 | H042 | 109.2° | 109.4° |
| C37 | C38 | C02 | 112.8° | 109.3° |
| C38 | C37 | H372 | 109.3° | 109.5° |
| C38 | C37 | H371 | 109.3° | 109.5° |
| C37 | C38 | H382 | 108.6° | 109.5° |
| C37 | C38 | H381 | 108.6° | 109.5° |
| C03 | C02 | C38 | 108.8° | 109.2° |
| C03 | C02 | O01 | 110.1° | 109.6° |
| C03 | C02 | H021 | 109.0° | 109.6° |
| C02 | C03 | H031 | 109.0° | 109.5° |
| C02 | C03 | H032 | 108.9° | 109.5° |
| C38 | C02 | O01 | 109.2° | 109.5° |
| C38 | C02 | H021 | 109.0° | 109.5° |
| C02 | C38 | H382 | 108.6° | 109.5° |
| C02 | C38 | H381 | 108.6° | 109.5° |
| O01 | C02 | H021 | 110.8° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 108.8° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 108.8° |
| H331 | C33 | H332 | 109.5° | 108.8° |
| H341 | C34 | H342 | 109.4° | 109.7° |
| H372 | C37 | H371 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | O31 | C28 | 179.9° | 179.9° |
| O30 | C29 | C28 | C27 | 140.7° | 0.1° |
| O30 | C29 | C28 | H281 | 20.3° | 119.9° |
| O30 | C29 | C28 | H282 | 98.9° | 120.1° |
| O30 | C29 | O31 | H1 | 0.0° | 0.0° |
| O31 | C29 | C28 | C27 | 39.2° | 180.0° |
| O31 | C29 | C28 | H281 | 159.6° | 60.0° |
| O31 | C29 | C28 | H282 | 81.2° | 60.0° |
| C29 | C28 | C27 | H281 | 120.4° | 120.0° |
| C29 | C28 | C27 | H282 | 120.4° | 119.9° |
| C29 | C28 | C27 | C26 | 167.9° | 180.0° |
| C29 | C28 | C27 | H272 | 71.8° | 60.0° |
| C29 | C28 | C27 | H271 | 47.6° | 60.0° |
| C29 | C28 | H281 | H282 | 118.9° | 120.0° |
| C28 | C29 | O31 | H1 | 179.9° | 180.0° |
| C28 | C27 | C26 | H272 | 120.3° | 120.0° |
| C28 | C27 | C26 | H271 | 120.3° | 120.0° |
| C28 | C27 | C26 | O25 | 130.3° | 180.0° |
| C28 | C27 | C26 | H261 | 10.2° | 60.0° |
| C28 | C27 | C26 | H262 | 109.7° | 60.0° |
| C28 | C27 | H272 | H271 | 119.1° | 120.0° |
| C27 | C28 | H281 | H282 | 118.9° | 120.1° |
| C27 | C26 | O25 | H261 | 120.1° | 120.0° |
| C27 | C26 | O25 | H262 | 120.0° | 120.0° |
| C27 | C26 | O25 | C24 | 113.8° | 179.9° |
| C27 | C26 | H261 | H262 | 119.9° | 120.0° |
| C26 | C27 | H272 | H271 | 119.1° | 120.0° |
| C26 | C27 | C28 | H281 | 47.5° | 60.0° |
| C26 | C27 | C28 | H282 | 71.7° | 60.0° |
| C34 | C33 | C32 | H331 | 120.6° | 120.7° |
| C34 | C33 | C32 | H332 | 120.7° | 120.7° |
| C33 | C34 | N10 | H341 | 120.3° | 119.9° |
| C33 | C34 | N10 | H342 | 120.3° | 119.7° |
| C34 | C33 | C32 | N13 | 96.2° | 41.3° |
| C33 | C34 | N10 | C11 | 44.7° | 80.6° |
| C33 | C34 | N10 | C09 | 169.7° | 158.6° |
| C34 | C33 | C32 | H321 | 142.8° | 79.5° |
| C34 | C33 | C32 | H322 | 24.9° | 162.0° |
| C34 | C33 | H331 | H332 | 118.0° | 118.8° |
| C33 | C34 | H341 | H342 | 119.2° | 120.4° |
| C33 | C34 | N10 | H101 | 71.7° | 40.3° |
| C32 | C33 | C34 | N10 | 41.2° | 93.4° |
| C33 | C32 | N13 | H321 | 121.1° | 120.7° |
| C33 | C32 | N13 | H322 | 121.1° | 120.7° |
| C33 | C32 | N13 | C12 | 54.1° | 41.5° |
| C33 | C32 | N13 | C14 | 177.2° | 167.3° |
| C33 | C32 | H321 | H322 | 116.6° | 118.6° |
| C32 | C33 | H331 | H332 | 118.0° | 118.7° |
| C32 | C33 | C34 | H341 | 79.1° | 146.8° |
| C32 | C33 | C34 | H342 | 161.5° | 26.3° |
| C34 | N10 | C11 | C09 | 124.6° | 120.8° |
| C34 | N10 | C11 | H101 | 116.4° | 120.8° |
| C34 | N10 | C11 | C12 | 94.6° | 62.4° |
| C34 | N10 | C09 | H101 | 118.7° | 118.4° |
| C34 | N10 | C09 | C08 | 160.0° | 171.8° |
| C34 | N10 | C09 | H092 | 39.0° | 68.2° |
| C34 | N10 | C09 | H091 | 79.0° | 51.8° |
| C34 | N10 | C11 | H111 | 144.3° | 58.3° |
| C34 | N10 | C11 | H112 | 26.4° | 176.9° |
| N10 | C34 | C33 | H331 | 79.5° | 27.3° |
| N10 | C34 | C33 | H332 | 161.8° | 146.0° |
| N10 | C34 | H341 | H342 | 119.2° | 120.3° |
| C26 | O25 | C24 | C14 | 105.6° | 90.0° |
| C26 | O25 | C24 | C22 | 74.3° | 90.1° |
| O25 | C26 | H261 | H262 | 119.9° | 119.9° |
| O25 | C26 | C27 | H272 | 109.4° | 60.0° |
| O25 | C26 | C27 | H271 | 10.0° | 60.0° |
| C32 | N13 | C12 | C11 | 22.2° | 94.3° |
| C32 | N13 | C12 | C14 | 129.4° | 125.9° |
| C32 | N13 | C14 | C24 | 115.0° | 116.3° |
| C32 | N13 | C14 | C15 | 64.9° | 63.9° |
| C32 | N13 | C12 | H121 | 99.4° | 25.5° |
| C32 | N13 | C12 | H122 | 143.7° | 145.9° |
| N13 | C32 | H321 | H322 | 116.6° | 118.6° |
| N13 | C32 | C33 | H331 | 24.5° | 79.4° |
| N13 | C32 | C33 | H332 | 143.2° | 161.9° |
| O25 | C24 | C14 | N13 | 0.0° | 0.2° |
| O25 | C24 | C14 | C22 | 179.9° | 179.9° |
| O25 | C24 | C14 | C15 | 179.8° | 180.0° |
| O25 | C24 | C22 | C23 | 0.2° | 0.0° |
| O25 | C24 | C22 | C21 | 180.0° | 180.0° |
| C24 | O25 | C26 | H261 | 126.1° | 60.0° |
| C24 | O25 | C26 | H262 | 6.2° | 59.9° |
| N10 | C11 | C12 | H111 | 121.1° | 120.8° |
| N10 | C11 | C12 | H112 | 121.1° | 120.7° |
| N10 | C11 | C12 | N13 | 55.7° | 80.0° |
| C11 | N10 | C09 | H101 | 119.1° | 118.5° |
| C11 | N10 | C09 | C08 | 77.8° | 65.0° |
| C11 | N10 | C09 | H092 | 161.1° | 55.0° |
| C11 | N10 | C09 | H091 | 43.2° | 175.0° |
| N10 | C11 | H111 | H112 | 116.7° | 118.6° |
| N10 | C11 | C12 | H121 | 65.8° | 39.8° |
| N10 | C11 | C12 | H122 | 177.2° | 160.1° |
| C11 | N10 | C34 | H341 | 165.0° | 159.6° |
| C11 | N10 | C34 | H342 | 75.5° | 39.2° |
| C11 | C12 | N13 | H121 | 121.5° | 119.8° |
| C11 | C12 | N13 | H122 | 121.5° | 119.8° |
| C11 | C12 | N13 | C14 | 151.6° | 139.8° |
| C12 | C11 | N10 | C09 | 140.8° | 176.7° |
| C12 | C11 | H111 | H112 | 116.7° | 118.6° |
| C11 | C12 | H121 | H122 | 115.1° | 120.3° |
| C12 | C11 | N10 | H101 | 21.8° | 58.4° |
| C12 | N13 | C14 | C24 | 114.7° | 116.4° |
| C12 | N13 | C14 | C15 | 65.4° | 63.4° |
| N13 | C12 | C11 | H111 | 176.7° | 40.8° |
| N13 | C12 | C11 | H112 | 65.4° | 159.3° |
| N13 | C12 | H121 | H122 | 115.1° | 120.3° |
| C12 | N13 | C32 | H321 | 175.2° | 162.2° |
| C12 | N13 | C32 | H322 | 67.0° | 79.2° |
| N13 | C14 | C24 | C15 | 179.9° | 179.8° |
| N13 | C14 | C24 | C22 | 179.9° | 179.7° |
| N13 | C14 | C15 | N16 | 0.2° | 0.3° |
| N13 | C14 | C15 | C20 | 180.0° | 179.8° |
| C14 | N13 | C12 | H121 | 30.1° | 100.3° |
| C14 | N13 | C12 | H122 | 86.9° | 20.0° |
| C14 | N13 | C32 | H321 | 56.1° | 71.9° |
| C14 | N13 | C32 | H322 | 61.7° | 46.6° |
| N10 | C09 | C08 | H092 | 121.0° | 120.0° |
| N10 | C09 | C08 | H091 | 121.1° | 120.0° |
| N10 | C09 | C08 | C35 | 106.6° | 95.0° |
| N10 | C09 | C08 | N07 | 73.7° | 84.8° |
| N10 | C09 | H092 | H091 | 116.8° | 120.0° |
| C09 | N10 | C11 | H111 | 19.7° | 62.5° |
| C09 | N10 | C11 | H112 | 98.2° | 56.1° |
| C09 | N10 | C34 | H341 | 70.0° | 38.8° |
| C09 | N10 | C34 | H342 | 49.4° | 81.6° |
| C09 | C08 | C35 | N07 | 179.7° | 179.8° |
| C09 | C08 | C35 | S36 | 179.8° | 180.0° |
| C09 | C08 | N07 | C06 | 179.9° | 179.8° |
| C08 | C09 | H092 | H091 | 116.7° | 120.0° |
| C09 | C08 | C35 | H351 | 0.2° | 0.1° |
| C08 | C09 | N10 | H101 | 41.3° | 53.5° |
| C14 | C24 | C22 | C23 | 179.9° | 179.9° |
| C14 | C24 | C22 | C21 | 0.1° | 0.1° |
| C24 | C14 | C15 | N16 | 179.9° | 180.0° |
| C24 | C14 | C15 | C20 | 0.1° | 0.0° |
| C22 | C24 | C14 | C15 | 0.0° | 0.1° |
| C24 | C22 | C23 | C21 | 179.9° | 180.0° |
| C24 | C22 | C21 | C20 | 0.1° | 0.0° |
| C24 | C22 | C21 | H211 | 179.9° | 179.9° |
| C24 | C22 | C23 | H233 | 90.1° | 90.1° |
| C24 | C22 | C23 | H232 | 149.9° | 30.0° |
| C24 | C22 | C23 | H231 | 29.9° | 150.0° |
| C14 | C15 | N16 | C20 | 179.8° | 180.0° |
| C14 | C15 | N16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C20 | C21 | 0.1° | 0.1° |
| C14 | C15 | C20 | C19 | 180.0° | 180.0° |
| C08 | C35 | S36 | H351 | 180.0° | 179.9° |
| C35 | C08 | N07 | C06 | 0.1° | 0.0° |
| C08 | C35 | S36 | C06 | 0.0° | 0.2° |
| C35 | C08 | C09 | H092 | 132.4° | 145.0° |
| C35 | C08 | C09 | H091 | 14.5° | 25.0° |
| N07 | C08 | C35 | S36 | 0.1° | 0.2° |
| C08 | N07 | C06 | S36 | 0.1° | 0.2° |
| C08 | N07 | C06 | N05 | 180.0° | 180.0° |
| N07 | C08 | C09 | H092 | 47.4° | 35.2° |
| N07 | C08 | C09 | H091 | 165.3° | 155.2° |
| N07 | C08 | C35 | H351 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 180.0° | 180.0° |
| C23 | C22 | C21 | H211 | 0.0° | 0.1° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C22 | C23 | H233 | H231 | 120.0° | 120.0° |
| C22 | C23 | H232 | H231 | 120.0° | 120.0° |
| C22 | C21 | C20 | C15 | 0.1° | 0.1° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.9° | 180.0° |
| C21 | C22 | C23 | H233 | 90.0° | 89.9° |
| C21 | C22 | C23 | H232 | 29.9° | 150.0° |
| C21 | C22 | C23 | H231 | 149.9° | 30.0° |
| C35 | S36 | C06 | N07 | 0.1° | 0.3° |
| C35 | S36 | C06 | N05 | 179.9° | 179.9° |
| N16 | C15 | C20 | C21 | 179.9° | 180.0° |
| N16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C15 | N16 | C17 | C18 | 0.1° | 0.0° |
| C15 | N16 | C17 | H171 | 179.9° | 179.9° |
| C20 | C15 | N16 | C17 | 0.2° | 0.1° |
| C15 | C20 | C21 | C19 | 179.9° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.0° |
| C15 | C20 | C19 | H191 | 179.9° | 180.0° |
| C15 | C20 | C21 | H211 | 179.9° | 180.0° |
| N16 | C17 | C18 | H171 | 180.0° | 179.9° |
| N16 | C17 | C18 | C19 | 0.0° | 0.1° |
| N16 | C17 | C18 | H181 | 180.0° | 180.0° |
| N07 | C06 | S36 | N05 | 179.9° | 179.8° |
| N07 | C06 | N05 | C04 | 38.6° | 180.0° |
| N07 | C06 | N05 | C37 | 165.1° | 55.9° |
| C21 | C20 | C19 | C18 | 179.9° | 179.9° |
| C21 | C20 | C19 | H191 | 0.1° | 0.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | H181 | 180.0° | 180.0° |
| C19 | C20 | C21 | H211 | 0.1° | 0.1° |
| S36 | C06 | N05 | C04 | 141.3° | 0.2° |
| S36 | C06 | N05 | C37 | 14.8° | 123.9° |
| C06 | S36 | C35 | H351 | 180.0° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | H191 | 180.0° | 180.0° |
| C06 | N05 | C04 | C37 | 128.7° | 124.0° |
| C06 | N05 | C04 | C03 | 170.8° | 174.2° |
| C06 | N05 | C37 | C38 | 174.8° | 174.2° |
| C06 | N05 | C04 | H041 | 50.7° | 65.7° |
| C06 | N05 | C04 | H042 | 69.0° | 54.2° |
| C06 | N05 | C37 | H372 | 65.1° | 54.2° |
| C06 | N05 | C37 | H371 | 54.7° | 65.8° |
| C19 | C18 | C17 | H171 | 180.0° | 180.0° |
| N05 | C04 | C03 | H041 | 120.2° | 120.1° |
| N05 | C04 | C03 | H042 | 120.2° | 119.9° |
| C04 | N05 | C37 | C38 | 58.1° | 61.8° |
| N05 | C04 | C03 | C02 | 59.0° | 59.3° |
| N05 | C04 | C03 | H031 | 61.3° | 179.1° |
| N05 | C04 | C03 | H032 | 179.3° | 60.7° |
| N05 | C04 | H041 | H042 | 119.5° | 119.9° |
| C04 | N05 | C37 | H372 | 62.1° | 178.2° |
| C04 | N05 | C37 | H371 | 178.2° | 58.2° |
| C37 | N05 | C04 | C03 | 60.5° | 61.8° |
| N05 | C37 | C38 | H372 | 120.1° | 120.0° |
| N05 | C37 | C38 | H371 | 120.1° | 120.0° |
| N05 | C37 | C38 | C02 | 55.7° | 59.2° |
| C37 | N05 | C04 | H041 | 179.4° | 58.3° |
| C37 | N05 | C04 | H042 | 59.7° | 178.2° |
| N05 | C37 | H372 | H371 | 119.7° | 119.9° |
| N05 | C37 | C38 | H382 | 176.2° | 60.8° |
| N05 | C37 | C38 | H381 | 64.8° | 179.1° |
| C04 | C03 | C02 | H031 | 120.3° | 119.9° |
| C04 | C03 | C02 | H032 | 120.3° | 120.0° |
| C04 | C03 | C02 | C38 | 54.5° | 57.7° |
| C04 | C03 | C02 | O01 | 174.0° | 177.6° |
| C04 | C03 | C02 | H021 | 64.2° | 62.2° |
| C04 | C03 | H031 | H032 | 119.0° | 120.2° |
| C03 | C04 | H041 | H042 | 119.5° | 120.0° |
| C37 | C38 | C02 | C03 | 53.1° | 57.7° |
| C37 | C38 | C02 | H382 | 120.5° | 119.9° |
| C37 | C38 | C02 | H381 | 120.5° | 120.0° |
| C37 | C38 | C02 | O01 | 173.2° | 177.6° |
| C37 | C38 | C02 | H021 | 65.6° | 62.3° |
| C38 | C37 | H372 | H371 | 119.7° | 120.0° |
| C37 | C38 | H382 | H381 | 118.5° | 120.1° |
| C03 | C02 | C38 | O01 | 120.1° | 119.9° |
| C03 | C02 | C38 | H021 | 118.7° | 120.0° |
| C03 | C02 | O01 | H021 | 120.7° | 120.2° |
| C02 | C03 | H031 | H032 | 119.1° | 120.1° |
| C02 | C03 | C04 | H041 | 179.2° | 60.8° |
| C02 | C03 | C04 | H042 | 61.1° | 179.2° |
| C03 | C02 | C38 | H382 | 173.6° | 62.3° |
| C03 | C02 | C38 | H381 | 67.5° | 177.6° |
| C03 | C02 | O01 | H011 | 180.0° | 179.9° |
| C38 | C02 | O01 | H021 | 120.0° | 120.1° |
| C38 | C02 | C03 | H031 | 65.8° | 177.5° |
| C38 | C02 | C03 | H032 | 174.7° | 62.4° |
| C02 | C38 | C37 | H372 | 64.4° | 179.2° |
| C02 | C38 | C37 | H371 | 175.8° | 60.8° |
| C02 | C38 | H382 | H381 | 118.4° | 120.1° |
| C38 | C02 | O01 | H011 | 60.7° | 60.2° |
| O01 | C02 | C03 | H031 | 53.7° | 62.6° |
| O01 | C02 | C03 | H032 | 65.7° | 57.5° |
| O01 | C02 | C38 | H382 | 66.3° | 57.7° |
| O01 | C02 | C38 | H381 | 52.7° | 62.4° |
| H021 | C02 | C03 | H031 | 175.5° | 57.6° |
| H021 | C02 | C03 | H032 | 56.1° | 177.7° |
| H021 | C02 | C38 | H382 | 54.9° | 177.8° |
| H021 | C02 | C38 | H381 | 173.8° | 57.7° |
| H021 | C02 | O01 | H011 | 59.3° | 59.9° |
| H031 | C03 | C04 | H041 | 58.9° | 59.0° |
| H031 | C03 | C04 | H042 | 178.6° | 61.0° |
| H032 | C03 | C04 | H041 | 60.5° | 179.2° |
| H032 | C03 | C04 | H042 | 59.2° | 59.2° |
| H092 | C09 | N10 | H101 | 79.7° | 173.5° |
| H091 | C09 | N10 | H101 | 162.3° | 66.5° |
| H111 | C11 | C12 | H121 | 55.2° | 160.6° |
| H111 | C11 | C12 | H122 | 61.7° | 79.1° |
| H111 | C11 | N10 | H101 | 99.3° | 179.1° |
| H112 | C11 | C12 | H121 | 173.1° | 80.9° |
| H112 | C11 | C12 | H122 | 56.1° | 39.5° |
| H112 | C11 | N10 | H101 | 142.8° | 62.3° |
| H171 | C17 | C18 | H181 | 0.0° | 0.1° |
| H181 | C18 | C19 | H191 | 0.0° | 0.0° |
| H233 | C23 | H232 | H231 | 120.0° | 120.0° |
| H261 | C26 | C27 | H272 | 130.5° | 60.0° |
| H261 | C26 | C27 | H271 | 110.0° | 180.0° |
| H262 | C26 | C27 | H272 | 10.6° | 179.9° |
| H262 | C26 | C27 | H271 | 130.0° | 60.0° |
| H272 | C27 | C28 | H281 | 167.8° | 180.0° |
| H272 | C27 | C28 | H282 | 48.6° | 60.0° |
| H271 | C27 | C28 | H281 | 72.8° | 60.0° |
| H271 | C27 | C28 | H282 | 168.0° | 180.0° |
| H321 | C32 | C33 | H331 | 96.6° | 159.9° |
| H321 | C32 | C33 | H332 | 22.1° | 41.2° |
| H322 | C32 | C33 | H331 | 145.6° | 41.3° |
| H322 | C32 | C33 | H332 | 95.7° | 77.4° |
| H331 | C33 | C34 | H341 | 160.3° | 92.5° |
| H331 | C33 | C34 | H342 | 40.8° | 147.0° |
| H332 | C33 | C34 | H341 | 41.6° | 26.1° |
| H332 | C33 | C34 | H342 | 77.9° | 94.3° |
| H341 | C34 | N10 | H101 | 48.6° | 79.6° |
| H342 | C34 | N10 | H101 | 168.0° | 160.0° |
| H372 | C37 | C38 | H382 | 56.1° | 59.2° |
| H372 | C37 | C38 | H381 | 175.1° | 60.9° |
| H371 | C37 | C38 | H382 | 63.7° | 179.2° |
| H371 | C37 | C38 | H381 | 55.3° | 59.2° |
