6ON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | O06 | sing | 1.43Å | 1.43Å | |
| C08 | O09 | sing | 1.43Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| C05 | O06 | sing | 1.43Å | 1.43Å | |
| N03 | C02 | sing | 1.35Å | 1.33Å | |
| O09 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| C02 | C54 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| O18 | C19 | sing | 1.43Å | 1.43Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | O15 | sing | 1.43Å | 1.43Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C55 | N62 | sing | 1.46Å | 1.45Å | |
| C55 | C56 | sing | 1.51Å | 1.48Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| N62 | C63 | doub | 1.29Å | 1.26Å | |
| N57 | C56 | doub | 1.30Å | 1.36Å | Aromatic |
| N57 | N58 | sing | 1.29Å | 1.41Å | Aromatic |
| C56 | N61 | sing | 1.36Å | 1.34Å | Aromatic |
| C70 | C69 | doub | 1.38Å | 1.39Å | Aromatic |
| C70 | C64 | sing | 1.39Å | 1.39Å | Aromatic |
| C63 | C64 | sing | 1.48Å | 1.49Å | |
| C63 | C71 | sing | 1.48Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C69 | C67 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | N27 | sing | 1.46Å | 1.45Å | |
| C64 | C65 | doub | 1.39Å | 1.40Å | Aromatic |
| N58 | C59 | doub | 1.31Å | 1.35Å | Aromatic |
| N61 | C72 | sing | 1.40Å | 1.36Å | |
| N61 | C59 | sing | 1.36Å | 1.33Å | Aromatic |
| C71 | C72 | doub | 1.38Å | 1.49Å | Aromatic |
| C71 | C76 | sing | 1.45Å | 1.42Å | Aromatic |
| O24 | C25 | sing | 1.43Å | 1.44Å | |
| O24 | C23 | sing | 1.43Å | 1.43Å | |
| C77 | C76 | sing | 1.51Å | 1.50Å | |
| C72 | S73 | sing | 1.71Å | 1.74Å | Aromatic |
| N27 | C28 | sing | 1.35Å | 1.32Å | |
| C76 | C74 | doub | 1.32Å | 1.49Å | Aromatic |
| C59 | C60 | sing | 1.51Å | 1.50Å | |
| C67 | CL2 | sing | 1.74Å | 1.77Å | |
| C67 | C66 | doub | 1.38Å | 1.38Å | Aromatic |
| C65 | C66 | sing | 1.38Å | 1.39Å | Aromatic |
| C74 | S73 | sing | 1.75Å | 1.74Å | Aromatic |
| C74 | C75 | sing | 1.51Å | 1.51Å | |
| C28 | O53 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | N37 | sing | 1.46Å | 1.46Å | |
| C30 | C31 | sing | 1.51Å | 1.47Å | |
| N32 | C31 | doub | 1.30Å | 1.35Å | Aromatic |
| N32 | N33 | sing | 1.29Å | 1.41Å | Aromatic |
| N37 | C38 | doub | 1.29Å | 1.27Å | |
| C31 | N36 | sing | 1.36Å | 1.33Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| N33 | C34 | doub | 1.31Å | 1.35Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.48Å | 1.49Å | |
| C38 | C46 | sing | 1.48Å | 1.49Å | |
| N36 | C34 | sing | 1.35Å | 1.33Å | Aromatic |
| N36 | C47 | sing | 1.40Å | 1.35Å | |
| C39 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.49Å | |
| C46 | C47 | doub | 1.38Å | 1.48Å | Aromatic |
| C46 | C51 | sing | 1.45Å | 1.43Å | Aromatic |
| C47 | S48 | sing | 1.71Å | 1.73Å | Aromatic |
| C42 | CL | sing | 1.74Å | 1.77Å | |
| C42 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.51Å | 1.50Å | |
| C51 | C49 | doub | 1.32Å | 1.48Å | Aromatic |
| S48 | C49 | sing | 1.75Å | 1.73Å | Aromatic |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C60 | H603 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C65 | H651 | sing | 1.08Å | 1.08Å | |
| C66 | H661 | sing | 1.08Å | 1.08Å | |
| C69 | H691 | sing | 1.08Å | 1.08Å | |
| C70 | H701 | sing | 1.08Å | 1.08Å | |
| C75 | H752 | sing | 1.09Å | 1.10Å | |
| C75 | H751 | sing | 1.09Å | 1.10Å | |
| C75 | H753 | sing | 1.09Å | 1.10Å | |
| C77 | H773 | sing | 1.09Å | 1.10Å | |
| C77 | H771 | sing | 1.09Å | 1.10Å | |
| C77 | H772 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | O06 | 109.9° | 109.5° |
| C07 | C08 | O09 | 110.4° | 109.5° |
| C08 | C07 | H072 | 109.4° | 109.5° |
| C08 | C07 | H071 | 109.4° | 109.5° |
| C07 | C08 | H082 | 109.2° | 109.5° |
| C07 | C08 | H081 | 109.2° | 109.4° |
| C07 | O06 | C05 | 114.5° | 114.0° |
| O06 | C07 | H072 | 109.4° | 109.5° |
| O06 | C07 | H071 | 109.4° | 109.5° |
| C08 | O09 | C10 | 112.7° | 114.0° |
| O09 | C08 | H082 | 109.3° | 109.5° |
| O09 | C08 | H081 | 109.2° | 109.5° |
| C05 | C04 | N03 | 112.0° | 109.4° |
| C04 | C05 | O06 | 109.0° | 109.4° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C05 | C04 | H041 | 108.8° | 109.5° |
| C04 | C05 | H051 | 109.6° | 109.4° |
| C04 | C05 | H052 | 109.6° | 109.4° |
| C04 | N03 | C02 | 122.1° | 120.0° |
| C04 | N03 | H031 | 118.9° | 120.0° |
| N03 | C04 | H042 | 108.8° | 109.5° |
| N03 | C04 | H041 | 108.8° | 109.5° |
| O06 | C05 | H051 | 109.6° | 109.5° |
| O06 | C05 | H052 | 109.6° | 109.5° |
| N03 | C02 | O01 | 122.8° | 120.0° |
| N03 | C02 | C54 | 116.4° | 120.0° |
| C02 | N03 | H031 | 118.9° | 120.0° |
| O09 | C10 | C11 | 110.9° | 109.5° |
| O09 | C10 | H101 | 109.1° | 109.5° |
| O09 | C10 | H102 | 109.1° | 109.4° |
| C10 | C11 | O12 | 110.1° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | H112 | 109.3° | 109.5° |
| C10 | C11 | H111 | 109.3° | 109.4° |
| O01 | C02 | C54 | 120.8° | 120.0° |
| C02 | C54 | C55 | 107.7° | 109.5° |
| C02 | C54 | H542 | 109.9° | 109.5° |
| C02 | C54 | H541 | 109.9° | 109.5° |
| C11 | O12 | C13 | 112.5° | 114.0° |
| O12 | C11 | H112 | 109.3° | 109.5° |
| O12 | C11 | H111 | 109.3° | 109.4° |
| O12 | C13 | C14 | 110.3° | 109.4° |
| O12 | C13 | H132 | 109.3° | 109.5° |
| O12 | C13 | H131 | 109.2° | 109.5° |
| C17 | O18 | C19 | 111.7° | 114.0° |
| O18 | C17 | C16 | 110.6° | 109.5° |
| O18 | C17 | H172 | 109.2° | 109.5° |
| O18 | C17 | H171 | 109.2° | 109.5° |
| O18 | C19 | C20 | 111.2° | 109.5° |
| O18 | C19 | H191 | 109.0° | 109.5° |
| O18 | C19 | H192 | 109.0° | 109.4° |
| C54 | C55 | N62 | 106.6° | 109.5° |
| C54 | C55 | C56 | 111.8° | 109.5° |
| C55 | C54 | H542 | 109.9° | 109.5° |
| C55 | C54 | H541 | 109.9° | 109.5° |
| C54 | C55 | H551 | 110.3° | 109.5° |
| C17 | C16 | O15 | 110.2° | 109.4° |
| C17 | C16 | H161 | 109.3° | 109.5° |
| C17 | C16 | H162 | 109.3° | 109.5° |
| C16 | C17 | H172 | 109.2° | 109.4° |
| C16 | C17 | H171 | 109.2° | 109.5° |
| C19 | C20 | O21 | 111.5° | 109.5° |
| C20 | C19 | H191 | 109.0° | 109.4° |
| C20 | C19 | H192 | 109.0° | 109.5° |
| C19 | C20 | H201 | 109.0° | 109.4° |
| C19 | C20 | H202 | 109.0° | 109.4° |
| C20 | O21 | C22 | 115.7° | 114.0° |
| O21 | C20 | H201 | 109.0° | 109.5° |
| O21 | C20 | H202 | 109.0° | 109.5° |
| C13 | C14 | O15 | 109.9° | 109.5° |
| C14 | C13 | H132 | 109.3° | 109.5° |
| C14 | C13 | H131 | 109.3° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.5° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| C16 | O15 | C14 | 115.7° | 114.0° |
| O15 | C16 | H161 | 109.3° | 109.4° |
| O15 | C16 | H162 | 109.3° | 109.5° |
| O15 | C14 | H141 | 109.4° | 109.5° |
| O15 | C14 | H142 | 109.4° | 109.5° |
| N62 | C55 | C56 | 105.5° | 109.1° |
| C55 | N62 | C63 | 121.5° | 122.4° |
| N62 | C55 | H551 | 111.4° | 109.5° |
| C55 | C56 | N57 | 127.3° | 127.8° |
| C55 | C56 | N61 | 126.5° | 125.1° |
| C56 | C55 | H551 | 111.0° | 109.6° |
| O21 | C22 | C23 | 110.4° | 109.5° |
| O21 | C22 | H222 | 109.3° | 109.5° |
| O21 | C22 | H221 | 109.3° | 109.5° |
| N62 | C63 | C64 | 117.2° | 117.0° |
| N62 | C63 | C71 | 123.5° | 126.0° |
| C56 | N57 | N58 | 106.9° | 109.7° |
| N57 | C56 | N61 | 106.1° | 107.1° |
| N57 | N58 | C59 | 108.2° | 109.9° |
| C56 | N61 | C72 | 120.9° | 124.5° |
| C56 | N61 | C59 | 112.7° | 106.5° |
| C69 | C70 | C64 | 119.2° | 119.9° |
| C70 | C69 | C67 | 119.6° | 120.1° |
| C70 | C69 | H691 | 120.2° | 119.9° |
| C69 | C70 | H701 | 120.4° | 120.1° |
| C70 | C64 | C63 | 120.7° | 120.1° |
| C70 | C64 | C65 | 120.7° | 119.8° |
| C64 | C70 | H701 | 120.4° | 120.1° |
| C64 | C63 | C71 | 118.3° | 117.0° |
| C63 | C64 | C65 | 118.4° | 120.1° |
| C63 | C71 | C72 | 120.6° | 124.8° |
| C63 | C71 | C76 | 124.5° | 123.5° |
| C22 | C23 | O24 | 110.0° | 109.5° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| C22 | C23 | H231 | 109.4° | 109.5° |
| C69 | C67 | CL2 | 119.3° | 119.9° |
| C69 | C67 | C66 | 121.9° | 120.3° |
| C67 | C69 | H691 | 120.2° | 119.9° |
| C25 | C26 | N27 | 111.4° | 109.5° |
| C26 | C25 | O24 | 110.5° | 109.5° |
| C26 | C25 | H252 | 109.2° | 109.5° |
| C26 | C25 | H251 | 109.2° | 109.5° |
| C25 | C26 | H262 | 109.0° | 109.5° |
| C25 | C26 | H261 | 109.0° | 109.4° |
| C26 | N27 | C28 | 121.3° | 120.0° |
| N27 | C26 | H262 | 109.0° | 109.5° |
| N27 | C26 | H261 | 109.0° | 109.5° |
| C26 | N27 | H271 | 119.4° | 120.0° |
| C64 | C65 | C66 | 119.8° | 119.9° |
| C64 | C65 | H651 | 120.1° | 120.1° |
| N58 | C59 | N61 | 106.0° | 106.7° |
| N58 | C59 | C60 | 125.7° | 126.7° |
| C72 | N61 | C59 | 126.2° | 129.0° |
| N61 | C72 | C71 | 124.5° | 124.1° |
| N61 | C72 | S73 | 126.8° | 124.9° |
| N61 | C59 | C60 | 128.3° | 126.6° |
| C72 | C71 | C76 | 114.5° | 111.7° |
| C71 | C72 | S73 | 108.3° | 111.0° |
| C71 | C76 | C77 | 127.4° | 123.0° |
| C71 | C76 | C74 | 111.1° | 113.9° |
| C25 | O24 | C23 | 114.3° | 114.0° |
| O24 | C25 | H252 | 109.2° | 109.5° |
| O24 | C25 | H251 | 109.3° | 109.5° |
| O24 | C23 | H232 | 109.4° | 109.5° |
| O24 | C23 | H231 | 109.3° | 109.4° |
| C77 | C76 | C74 | 121.4° | 123.0° |
| C76 | C77 | H773 | 109.5° | 109.5° |
| C76 | C77 | H771 | 109.5° | 109.5° |
| C76 | C77 | H772 | 109.5° | 109.5° |
| C72 | S73 | C74 | 95.8° | 92.6° |
| N27 | C28 | O53 | 121.7° | 120.0° |
| N27 | C28 | C29 | 115.6° | 120.0° |
| C28 | N27 | H271 | 119.4° | 120.0° |
| C76 | C74 | S73 | 110.1° | 110.7° |
| C76 | C74 | C75 | 132.3° | 124.7° |
| C59 | C60 | H603 | 109.5° | 109.4° |
| C59 | C60 | H601 | 109.5° | 109.4° |
| C59 | C60 | H602 | 109.5° | 109.4° |
| CL2 | C67 | C66 | 118.8° | 119.8° |
| C67 | C66 | C65 | 118.8° | 120.1° |
| C67 | C66 | H661 | 120.6° | 120.0° |
| C66 | C65 | H651 | 120.1° | 120.0° |
| C65 | C66 | H661 | 120.6° | 119.9° |
| S73 | C74 | C75 | 117.6° | 124.6° |
| C74 | C75 | H752 | 109.5° | 109.5° |
| C74 | C75 | H751 | 109.5° | 109.4° |
| C74 | C75 | H753 | 109.5° | 109.5° |
| O53 | C28 | C29 | 122.7° | 120.0° |
| C28 | C29 | C30 | 108.9° | 109.5° |
| C28 | C29 | H291 | 109.6° | 109.5° |
| C28 | C29 | H292 | 109.6° | 109.5° |
| C29 | C30 | N37 | 107.4° | 109.5° |
| C29 | C30 | C31 | 111.8° | 109.5° |
| C30 | C29 | H291 | 109.6° | 109.5° |
| C30 | C29 | H292 | 109.6° | 109.5° |
| C29 | C30 | H301 | 109.4° | 109.5° |
| N37 | C30 | C31 | 107.8° | 109.2° |
| C30 | N37 | C38 | 118.9° | 122.4° |
| N37 | C30 | H301 | 110.2° | 109.5° |
| C30 | C31 | N32 | 126.8° | 127.8° |
| C30 | C31 | N36 | 126.4° | 125.1° |
| C31 | C30 | H301 | 110.2° | 109.6° |
| C31 | N32 | N33 | 106.3° | 109.7° |
| N32 | C31 | N36 | 106.8° | 107.1° |
| N32 | N33 | C34 | 108.6° | 109.9° |
| N37 | C38 | C39 | 120.1° | 117.0° |
| N37 | C38 | C46 | 124.0° | 126.0° |
| C31 | N36 | C34 | 113.2° | 106.5° |
| C31 | N36 | C47 | 120.4° | 124.5° |
| C41 | C40 | C39 | 119.4° | 119.9° |
| C40 | C41 | C42 | 119.0° | 120.1° |
| C41 | C40 | H401 | 120.3° | 120.1° |
| C40 | C41 | H411 | 120.5° | 119.9° |
| C40 | C39 | C38 | 117.9° | 120.1° |
| C40 | C39 | C45 | 121.3° | 119.7° |
| C39 | C40 | H401 | 120.3° | 120.1° |
| N33 | C34 | N36 | 105.0° | 106.8° |
| N33 | C34 | C35 | 126.1° | 126.6° |
| C41 | C42 | CL | 118.5° | 119.9° |
| C41 | C42 | C44 | 122.3° | 120.2° |
| C42 | C41 | H411 | 120.5° | 120.0° |
| C39 | C38 | C46 | 115.8° | 117.0° |
| C38 | C39 | C45 | 120.8° | 120.1° |
| C38 | C46 | C47 | 121.9° | 124.7° |
| C38 | C46 | C51 | 124.3° | 123.5° |
| C34 | N36 | C47 | 126.3° | 128.9° |
| N36 | C34 | C35 | 128.9° | 126.6° |
| N36 | C47 | C46 | 124.0° | 124.1° |
| N36 | C47 | S48 | 126.9° | 125.0° |
| C39 | C45 | C44 | 119.0° | 119.9° |
| C39 | C45 | H451 | 120.5° | 120.0° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C47 | C46 | C51 | 113.6° | 111.8° |
| C46 | C47 | S48 | 109.0° | 111.0° |
| C46 | C51 | C52 | 128.6° | 123.1° |
| C46 | C51 | C49 | 111.4° | 113.9° |
| C47 | S48 | C49 | 95.5° | 92.6° |
| CL | C42 | C44 | 119.3° | 119.9° |
| C42 | C44 | C45 | 118.9° | 120.1° |
| C42 | C44 | H441 | 120.5° | 119.9° |
| C45 | C44 | H441 | 120.6° | 120.0° |
| C44 | C45 | H451 | 120.5° | 120.0° |
| C52 | C51 | C49 | 120.0° | 123.0° |
| C51 | C52 | H521 | 109.5° | 109.4° |
| C51 | C52 | H522 | 109.5° | 109.5° |
| C51 | C52 | H523 | 109.5° | 109.4° |
| C51 | C49 | S48 | 110.5° | 110.7° |
| C51 | C49 | C50 | 132.4° | 124.7° |
| S48 | C49 | C50 | 117.2° | 124.7° |
| C49 | C50 | H503 | 109.5° | 109.4° |
| C49 | C50 | H502 | 109.5° | 109.5° |
| C49 | C50 | H501 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H353 | C35 | H351 | 109.4° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H503 | C50 | H502 | 109.4° | 109.5° |
| H503 | C50 | H501 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.4° | 109.5° |
| H521 | C52 | H523 | 109.5° | 109.4° |
| H522 | C52 | H523 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.4° |
| H603 | C60 | H601 | 109.4° | 109.5° |
| H603 | C60 | H602 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.4° | 109.5° |
| H752 | C75 | H751 | 109.5° | 109.5° |
| H752 | C75 | H753 | 109.5° | 109.5° |
| H751 | C75 | H753 | 109.5° | 109.5° |
| H773 | C77 | H771 | 109.4° | 109.4° |
| H773 | C77 | H772 | 109.4° | 109.5° |
| H771 | C77 | H772 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | O06 | H072 | 120.1° | 120.0° |
| C08 | C07 | O06 | H071 | 120.1° | 120.1° |
| C07 | C08 | O09 | H082 | 120.2° | 120.0° |
| C07 | C08 | O09 | H081 | 120.1° | 120.0° |
| C08 | C07 | O06 | C05 | 96.0° | 180.0° |
| C07 | C08 | O09 | C10 | 148.8° | 180.0° |
| C08 | C07 | H072 | H071 | 119.8° | 120.0° |
| C07 | C08 | H082 | H081 | 119.6° | 119.9° |
| O06 | C07 | C08 | O09 | 32.9° | 65.0° |
| C07 | O06 | C05 | C04 | 103.3° | 180.0° |
| C07 | O06 | C05 | H051 | 16.7° | 60.0° |
| C07 | O06 | C05 | H052 | 136.8° | 60.1° |
| O06 | C07 | H072 | H071 | 119.8° | 119.9° |
| O06 | C07 | C08 | H082 | 153.0° | 175.0° |
| O06 | C07 | C08 | H081 | 87.3° | 55.0° |
| C08 | O09 | C10 | C11 | 164.8° | 180.0° |
| C08 | O09 | C10 | H101 | 75.0° | 60.0° |
| C08 | O09 | C10 | H102 | 44.6° | 60.0° |
| O09 | C08 | C07 | H072 | 152.9° | 55.0° |
| O09 | C08 | C07 | H071 | 87.2° | 175.0° |
| O09 | C08 | H082 | H081 | 119.6° | 120.0° |
| C05 | C04 | N03 | H042 | 120.4° | 120.0° |
| C05 | C04 | N03 | H041 | 120.4° | 120.0° |
| C04 | C05 | O06 | H051 | 119.9° | 120.0° |
| C04 | C05 | O06 | H052 | 119.9° | 119.9° |
| C05 | C04 | N03 | C02 | 92.6° | 180.0° |
| C05 | C04 | N03 | H031 | 87.4° | 0.0° |
| C05 | C04 | H042 | H041 | 118.8° | 120.0° |
| C04 | C05 | H051 | H052 | 120.2° | 120.0° |
| N03 | C04 | C05 | O06 | 49.2° | 65.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 4.0° | 0.1° |
| C04 | N03 | C02 | C54 | 174.6° | 180.0° |
| N03 | C04 | H042 | H041 | 118.8° | 120.0° |
| N03 | C04 | C05 | H051 | 169.1° | 175.0° |
| N03 | C04 | C05 | H052 | 70.8° | 55.0° |
| O06 | C05 | C04 | H042 | 169.5° | 55.0° |
| O06 | C05 | C04 | H041 | 71.2° | 175.0° |
| O06 | C05 | H051 | H052 | 120.2° | 120.1° |
| C05 | O06 | C07 | H072 | 24.1° | 59.9° |
| C05 | O06 | C07 | H071 | 144.0° | 60.0° |
| N03 | C02 | O01 | C54 | 178.5° | 180.0° |
| N03 | C02 | C54 | C55 | 157.7° | 180.0° |
| C02 | N03 | C04 | H042 | 27.8° | 60.0° |
| C02 | N03 | C04 | H041 | 147.0° | 60.0° |
| N03 | C02 | C54 | H542 | 82.5° | 60.0° |
| N03 | C02 | C54 | H541 | 38.0° | 60.0° |
| O09 | C10 | C11 | H101 | 120.2° | 120.0° |
| O09 | C10 | C11 | H102 | 120.2° | 120.0° |
| O09 | C10 | C11 | O12 | 57.9° | 65.0° |
| O09 | C10 | H101 | H102 | 119.4° | 120.0° |
| C10 | O09 | C08 | H082 | 28.7° | 60.0° |
| C10 | O09 | C08 | H081 | 91.0° | 60.1° |
| O09 | C10 | C11 | H112 | 62.2° | 175.0° |
| O09 | C10 | C11 | H111 | 178.0° | 55.0° |
| C10 | C11 | O12 | H112 | 120.1° | 120.1° |
| C10 | C11 | O12 | H111 | 120.1° | 119.9° |
| C10 | C11 | O12 | C13 | 169.3° | 180.0° |
| C11 | C10 | H101 | H102 | 119.3° | 120.0° |
| C10 | C11 | H112 | H111 | 119.7° | 120.0° |
| O01 | C02 | C54 | C55 | 23.6° | 0.0° |
| O01 | C02 | N03 | H031 | 176.0° | 180.0° |
| O01 | C02 | C54 | H542 | 96.1° | 120.1° |
| O01 | C02 | C54 | H541 | 143.4° | 120.0° |
| C02 | C54 | C55 | H542 | 119.7° | 120.0° |
| C02 | C54 | C55 | H541 | 119.7° | 120.0° |
| C02 | C54 | C55 | N62 | 69.8° | 65.0° |
| C02 | C54 | C55 | C56 | 175.3° | 175.4° |
| C54 | C02 | N03 | H031 | 5.4° | 0.0° |
| C02 | C54 | H542 | H541 | 120.8° | 120.0° |
| C02 | C54 | C55 | H551 | 51.3° | 55.1° |
| C11 | O12 | C13 | C14 | 169.5° | 180.0° |
| O12 | C11 | C10 | H101 | 178.1° | 55.0° |
| O12 | C11 | C10 | H102 | 62.3° | 175.0° |
| O12 | C11 | H112 | H111 | 119.7° | 120.0° |
| C11 | O12 | C13 | H132 | 49.3° | 60.0° |
| C11 | O12 | C13 | H131 | 70.4° | 60.0° |
| O12 | C13 | C14 | H132 | 120.1° | 120.0° |
| O12 | C13 | C14 | H131 | 120.1° | 120.0° |
| O12 | C13 | C14 | O15 | 69.8° | 65.0° |
| C13 | O12 | C11 | H112 | 70.6° | 59.9° |
| C13 | O12 | C11 | H111 | 49.2° | 60.1° |
| O12 | C13 | H132 | H131 | 119.6° | 120.0° |
| O12 | C13 | C14 | H141 | 170.1° | 175.0° |
| O12 | C13 | C14 | H142 | 50.3° | 55.0° |
| O18 | C17 | C16 | H172 | 120.2° | 120.0° |
| O18 | C17 | C16 | H171 | 120.2° | 120.0° |
| C17 | O18 | C19 | C20 | 165.8° | 180.0° |
| O18 | C17 | C16 | O15 | 175.5° | 65.0° |
| O18 | C17 | C16 | H161 | 55.4° | 54.9° |
| O18 | C17 | C16 | H162 | 64.4° | 175.0° |
| O18 | C17 | H172 | H171 | 119.5° | 120.0° |
| C17 | O18 | C19 | H191 | 74.0° | 60.0° |
| C17 | O18 | C19 | H192 | 45.5° | 60.0° |
| C19 | O18 | C17 | C16 | 93.3° | 180.0° |
| O18 | C19 | C20 | H191 | 120.3° | 120.0° |
| O18 | C19 | C20 | H192 | 120.3° | 120.0° |
| O18 | C19 | C20 | O21 | 136.6° | 65.0° |
| C19 | O18 | C17 | H172 | 26.8° | 60.0° |
| C19 | O18 | C17 | H171 | 146.5° | 60.0° |
| O18 | C19 | H191 | H192 | 119.2° | 120.0° |
| O18 | C19 | C20 | H201 | 16.2° | 175.0° |
| O18 | C19 | C20 | H202 | 103.1° | 55.0° |
| C54 | C55 | N62 | C56 | 119.1° | 119.9° |
| C54 | C55 | N62 | H551 | 120.4° | 120.1° |
| C54 | C55 | C56 | H551 | 123.6° | 120.1° |
| C54 | C55 | N62 | C63 | 169.1° | 57.6° |
| C54 | C55 | C56 | N57 | 1.6° | 119.8° |
| C54 | C55 | C56 | N61 | 179.5° | 60.3° |
| C55 | C54 | H542 | H541 | 120.8° | 120.0° |
| C17 | C16 | O15 | H161 | 120.1° | 120.0° |
| C17 | C16 | O15 | H162 | 120.1° | 120.0° |
| C17 | C16 | O15 | C14 | 139.4° | 180.0° |
| C17 | C16 | H161 | H162 | 119.7° | 120.1° |
| C16 | C17 | H172 | H171 | 119.5° | 120.0° |
| C19 | C20 | O21 | H201 | 120.3° | 120.0° |
| C19 | C20 | O21 | H202 | 120.3° | 120.0° |
| C19 | C20 | O21 | C22 | 58.8° | 180.0° |
| C20 | C19 | H191 | H192 | 119.2° | 120.0° |
| C19 | C20 | H201 | H202 | 119.1° | 120.0° |
| C20 | O21 | C22 | C23 | 110.8° | 180.0° |
| O21 | C20 | C19 | H191 | 103.2° | 55.0° |
| O21 | C20 | C19 | H192 | 16.3° | 175.0° |
| O21 | C20 | H201 | H202 | 119.1° | 120.0° |
| C20 | O21 | C22 | H222 | 129.0° | 60.0° |
| C20 | O21 | C22 | H221 | 9.3° | 60.0° |
| C13 | C14 | O15 | C16 | 156.2° | 180.0° |
| C13 | C14 | O15 | H141 | 120.1° | 120.0° |
| C13 | C14 | O15 | H142 | 120.1° | 120.0° |
| C14 | C13 | H132 | H131 | 119.6° | 120.0° |
| C13 | C14 | H141 | H142 | 119.8° | 120.0° |
| C16 | O15 | C14 | H141 | 83.7° | 60.0° |
| C16 | O15 | C14 | H142 | 36.1° | 59.9° |
| O15 | C16 | H161 | H162 | 119.7° | 120.0° |
| O15 | C16 | C17 | H172 | 64.3° | 175.0° |
| O15 | C16 | C17 | H171 | 55.4° | 55.0° |
| O15 | C14 | C13 | H132 | 50.3° | 55.0° |
| O15 | C14 | C13 | H131 | 170.1° | 175.0° |
| O15 | C14 | H141 | H142 | 119.8° | 120.0° |
| C14 | O15 | C16 | H161 | 19.3° | 60.0° |
| C14 | O15 | C16 | H162 | 100.5° | 60.0° |
| N62 | C55 | C56 | H551 | 120.8° | 120.0° |
| N62 | C55 | C56 | N57 | 114.0° | 120.3° |
| N62 | C55 | C56 | N61 | 65.0° | 59.6° |
| C55 | N62 | C63 | C64 | 175.9° | 175.5° |
| C55 | N62 | C63 | C71 | 7.5° | 4.6° |
| N62 | C55 | C54 | H542 | 170.5° | 175.0° |
| N62 | C55 | C54 | H541 | 49.9° | 55.0° |
| C56 | C55 | N62 | C63 | 71.8° | 62.3° |
| C55 | C56 | N57 | N61 | 179.1° | 179.9° |
| C55 | C56 | N57 | N58 | 179.4° | 179.4° |
| C55 | C56 | N61 | C72 | 2.6° | 1.2° |
| C55 | C56 | N61 | C59 | 180.0° | 179.3° |
| C56 | C55 | C54 | H542 | 55.6° | 55.3° |
| C56 | C55 | C54 | H541 | 65.0° | 64.7° |
| O21 | C22 | C23 | H222 | 120.2° | 120.0° |
| O21 | C22 | C23 | H221 | 120.1° | 120.0° |
| O21 | C22 | C23 | O24 | 16.4° | 65.0° |
| C22 | O21 | C20 | H201 | 179.1° | 60.1° |
| C22 | O21 | C20 | H202 | 61.5° | 60.0° |
| O21 | C22 | H222 | H221 | 119.6° | 120.0° |
| O21 | C22 | C23 | H232 | 136.5° | 175.0° |
| O21 | C22 | C23 | H231 | 103.7° | 55.0° |
| N62 | C63 | C64 | C70 | 36.8° | 147.6° |
| N62 | C63 | C64 | C71 | 169.1° | 179.9° |
| N62 | C63 | C64 | C65 | 138.2° | 32.2° |
| N62 | C63 | C71 | C72 | 43.2° | 37.7° |
| N62 | C63 | C71 | C76 | 144.2° | 142.8° |
| C63 | N62 | C55 | H551 | 48.8° | 177.7° |
| C56 | N57 | N58 | C59 | 0.3° | 0.2° |
| N57 | C56 | N61 | C72 | 178.3° | 178.9° |
| N57 | C56 | N61 | C59 | 0.9° | 0.7° |
| N57 | C56 | C55 | H551 | 125.2° | 0.3° |
| N58 | N57 | C56 | N61 | 0.3° | 0.6° |
| N57 | N58 | C59 | N61 | 0.8° | 0.2° |
| N57 | N58 | C59 | C60 | 179.5° | 179.8° |
| C56 | N61 | C59 | N58 | 1.1° | 0.5° |
| C56 | N61 | C72 | C59 | 177.0° | 179.5° |
| C56 | N61 | C72 | C71 | 34.1° | 33.8° |
| C56 | N61 | C72 | S73 | 138.1° | 146.3° |
| C56 | N61 | C59 | C60 | 179.3° | 179.5° |
| N61 | C56 | C55 | H551 | 55.9° | 179.6° |
| C69 | C70 | C64 | H701 | 180.0° | 179.6° |
| C69 | C70 | C64 | C63 | 177.4° | 179.8° |
| C70 | C69 | C67 | H691 | 180.0° | 179.8° |
| C69 | C70 | C64 | C65 | 2.5° | 0.5° |
| C70 | C69 | C67 | CL2 | 178.4° | 179.8° |
| C70 | C69 | C67 | C66 | 0.8° | 0.2° |
| C70 | C64 | C63 | C65 | 175.1° | 179.8° |
| C70 | C64 | C63 | C71 | 154.1° | 32.3° |
| C64 | C70 | C69 | C67 | 1.4° | 0.5° |
| C70 | C64 | C65 | C66 | 2.8° | 0.2° |
| C70 | C64 | C65 | H651 | 177.2° | 179.8° |
| C64 | C70 | C69 | H691 | 178.6° | 179.8° |
| C64 | C63 | C71 | C72 | 125.2° | 142.3° |
| C64 | C63 | C71 | C76 | 47.4° | 37.3° |
| C63 | C64 | C65 | C66 | 177.9° | 180.0° |
| C63 | C64 | C65 | H651 | 2.1° | 0.0° |
| C63 | C64 | C70 | H701 | 2.6° | 0.1° |
| C71 | C63 | C64 | C65 | 30.8° | 147.9° |
| C63 | C71 | C72 | N61 | 9.1° | 3.7° |
| C63 | C71 | C72 | C76 | 173.3° | 179.6° |
| C63 | C71 | C76 | C77 | 5.9° | 2.9° |
| C63 | C71 | C72 | S73 | 177.5° | 176.2° |
| C63 | C71 | C76 | C74 | 176.6° | 177.1° |
| C22 | C23 | O24 | C25 | 133.9° | 180.0° |
| C22 | C23 | O24 | H232 | 120.1° | 120.1° |
| C22 | C23 | O24 | H231 | 120.1° | 120.0° |
| C23 | C22 | H222 | H221 | 119.6° | 120.0° |
| C22 | C23 | H232 | H231 | 119.8° | 120.0° |
| C69 | C67 | CL2 | C66 | 179.2° | 180.0° |
| C69 | C67 | C66 | C65 | 1.1° | 0.1° |
| C69 | C67 | C66 | H661 | 178.9° | 180.0° |
| C67 | C69 | C70 | H701 | 178.6° | 179.9° |
| C25 | C26 | N27 | H262 | 120.3° | 120.0° |
| C25 | C26 | N27 | H261 | 120.3° | 120.0° |
| C26 | C25 | O24 | H252 | 120.2° | 120.1° |
| C26 | C25 | O24 | H251 | 120.1° | 120.0° |
| C26 | C25 | O24 | C23 | 163.3° | 180.0° |
| C25 | C26 | N27 | C28 | 68.9° | 180.0° |
| C26 | C25 | H252 | H251 | 119.5° | 120.0° |
| C25 | C26 | H262 | H261 | 119.1° | 119.9° |
| C25 | C26 | N27 | H271 | 111.1° | 0.0° |
| N27 | C26 | C25 | O24 | 77.6° | 65.0° |
| C26 | N27 | C28 | H271 | 180.0° | 180.0° |
| C26 | N27 | C28 | O53 | 1.2° | 0.0° |
| C26 | N27 | C28 | C29 | 177.3° | 180.0° |
| N27 | C26 | C25 | H252 | 162.2° | 55.1° |
| N27 | C26 | C25 | H251 | 42.6° | 175.0° |
| N27 | C26 | H262 | H261 | 119.1° | 120.1° |
| C64 | C65 | C66 | C67 | 2.1° | 0.1° |
| C64 | C65 | C66 | H651 | 180.0° | 180.0° |
| C64 | C65 | C66 | H661 | 177.9° | 180.0° |
| C65 | C64 | C70 | H701 | 177.5° | 179.9° |
| N58 | C59 | N61 | C72 | 178.3° | 179.0° |
| N58 | C59 | N61 | C60 | 179.6° | 180.0° |
| N58 | C59 | C60 | H603 | 0.0° | 89.9° |
| N58 | C59 | C60 | H601 | 120.0° | 150.0° |
| N58 | C59 | C60 | H602 | 120.0° | 30.0° |
| N61 | C72 | C71 | S73 | 173.4° | 179.9° |
| N61 | C72 | C71 | C76 | 177.6° | 176.7° |
| C72 | N61 | C59 | C60 | 2.1° | 1.0° |
| N61 | C72 | S73 | C74 | 176.0° | 177.3° |
| C59 | N61 | C72 | C71 | 148.9° | 146.7° |
| C59 | N61 | C72 | S73 | 38.9° | 33.2° |
| N61 | C59 | C60 | H603 | 179.5° | 90.0° |
| N61 | C59 | C60 | H601 | 59.5° | 30.0° |
| N61 | C59 | C60 | H602 | 60.5° | 150.0° |
| C72 | C71 | C76 | C77 | 178.9° | 177.5° |
| C72 | C71 | C76 | C74 | 3.6° | 2.5° |
| C71 | C72 | S73 | C74 | 2.8° | 2.8° |
| C71 | C76 | C77 | C74 | 177.3° | 180.0° |
| C76 | C71 | C72 | S73 | 4.2° | 3.4° |
| C71 | C76 | C74 | S73 | 1.3° | 0.4° |
| C71 | C76 | C74 | C75 | 178.3° | 179.6° |
| C71 | C76 | C77 | H773 | 88.5° | 91.1° |
| C71 | C76 | C77 | H771 | 151.5° | 148.9° |
| C71 | C76 | C77 | H772 | 31.5° | 28.9° |
| C25 | O24 | C23 | H232 | 106.0° | 59.9° |
| C25 | O24 | C23 | H231 | 13.8° | 60.0° |
| O24 | C25 | H252 | H251 | 119.6° | 120.0° |
| O24 | C25 | C26 | H262 | 162.1° | 175.0° |
| O24 | C25 | C26 | H261 | 42.7° | 55.0° |
| O24 | C23 | C22 | H222 | 103.8° | 55.0° |
| O24 | C23 | C22 | H221 | 136.5° | 175.0° |
| O24 | C23 | H232 | H231 | 119.7° | 119.9° |
| C23 | O24 | C25 | H252 | 43.2° | 59.9° |
| C23 | O24 | C25 | H251 | 76.5° | 60.0° |
| C77 | C76 | C74 | S73 | 179.1° | 179.6° |
| C77 | C76 | C74 | C75 | 0.6° | 0.3° |
| C76 | C77 | H773 | H771 | 120.0° | 120.0° |
| C76 | C77 | H773 | H772 | 120.0° | 120.0° |
| C76 | C77 | H771 | H772 | 120.0° | 120.0° |
| C72 | S73 | C74 | C76 | 1.0° | 1.3° |
| C72 | S73 | C74 | C75 | 179.3° | 178.6° |
| N27 | C28 | O53 | C29 | 178.4° | 179.9° |
| N27 | C28 | C29 | C30 | 153.0° | 180.0° |
| C28 | N27 | C26 | H262 | 51.4° | 60.0° |
| C28 | N27 | C26 | H261 | 170.8° | 60.0° |
| N27 | C28 | C29 | H291 | 87.0° | 60.0° |
| N27 | C28 | C29 | H292 | 33.1° | 60.0° |
| C76 | C74 | S73 | C75 | 179.7° | 180.0° |
| C76 | C74 | C75 | H752 | 179.6° | 180.0° |
| C76 | C74 | C75 | H751 | 60.3° | 59.9° |
| C76 | C74 | C75 | H753 | 59.6° | 60.0° |
| C74 | C76 | C77 | H773 | 88.8° | 88.8° |
| C74 | C76 | C77 | H771 | 31.2° | 31.1° |
| C74 | C76 | C77 | H772 | 151.2° | 151.1° |
| C59 | C60 | H603 | H601 | 120.0° | 120.0° |
| C59 | C60 | H603 | H602 | 120.0° | 119.9° |
| C59 | C60 | H601 | H602 | 120.0° | 120.0° |
| CL2 | C67 | C66 | C65 | 178.0° | 179.9° |
| CL2 | C67 | C66 | H661 | 2.0° | 0.0° |
| CL2 | C67 | C69 | H691 | 1.6° | 0.0° |
| C67 | C66 | C65 | H661 | 180.0° | 179.9° |
| C67 | C66 | C65 | H651 | 177.9° | 179.9° |
| C66 | C67 | C69 | H691 | 179.2° | 180.0° |
| S73 | C74 | C75 | H752 | 0.0° | 0.0° |
| S73 | C74 | C75 | H751 | 120.0° | 120.0° |
| S73 | C74 | C75 | H753 | 120.0° | 120.0° |
| C74 | C75 | H752 | H751 | 120.0° | 120.0° |
| C74 | C75 | H752 | H753 | 120.0° | 120.0° |
| C74 | C75 | H751 | H753 | 120.0° | 119.9° |
| O53 | C28 | C29 | C30 | 25.4° | 0.0° |
| O53 | C28 | N27 | H271 | 178.8° | 180.0° |
| O53 | C28 | C29 | H291 | 94.5° | 120.1° |
| O53 | C28 | C29 | H292 | 145.4° | 120.0° |
| C28 | C29 | C30 | H291 | 119.9° | 120.0° |
| C28 | C29 | C30 | H292 | 119.9° | 120.0° |
| C28 | C29 | C30 | N37 | 66.8° | 65.0° |
| C28 | C29 | C30 | C31 | 175.2° | 175.3° |
| C29 | C28 | N27 | H271 | 2.7° | 0.0° |
| C28 | C29 | H291 | H292 | 120.2° | 120.0° |
| C28 | C29 | C30 | H301 | 52.9° | 55.1° |
| C29 | C30 | N37 | C31 | 120.6° | 119.9° |
| C29 | C30 | N37 | H301 | 119.1° | 120.1° |
| C29 | C30 | C31 | H301 | 121.9° | 120.2° |
| C29 | C30 | C31 | N32 | 6.8° | 119.7° |
| C29 | C30 | N37 | C38 | 170.0° | 57.6° |
| C29 | C30 | C31 | N36 | 175.6° | 60.3° |
| C30 | C29 | H291 | H292 | 120.3° | 120.0° |
| N37 | C30 | C31 | H301 | 120.3° | 119.9° |
| N37 | C30 | C31 | N32 | 111.0° | 120.3° |
| N37 | C30 | C31 | N36 | 66.6° | 59.6° |
| C30 | N37 | C38 | C39 | 179.1° | 175.4° |
| C30 | N37 | C38 | C46 | 4.2° | 4.6° |
| N37 | C30 | C29 | H291 | 173.3° | 175.0° |
| N37 | C30 | C29 | H292 | 53.2° | 55.1° |
| C30 | C31 | N32 | N36 | 178.0° | 180.0° |
| C30 | C31 | N32 | N33 | 179.0° | 179.4° |
| C31 | C30 | N37 | C38 | 69.4° | 62.3° |
| C30 | C31 | N36 | C34 | 179.5° | 179.3° |
| C30 | C31 | N36 | C47 | 3.3° | 1.2° |
| C31 | C30 | C29 | H291 | 55.3° | 55.3° |
| C31 | C30 | C29 | H292 | 64.8° | 64.7° |
| C31 | N32 | N33 | C34 | 0.3° | 0.2° |
| N32 | C31 | N36 | C34 | 1.5° | 0.7° |
| N32 | C31 | N36 | C47 | 178.7° | 178.8° |
| N32 | C31 | C30 | H301 | 128.7° | 0.4° |
| N33 | N32 | C31 | N36 | 1.0° | 0.5° |
| N32 | N33 | C34 | N36 | 0.6° | 0.2° |
| N32 | N33 | C34 | C35 | 179.8° | 179.8° |
| N37 | C38 | C39 | C40 | 40.2° | 31.2° |
| N37 | C38 | C39 | C46 | 176.9° | 180.0° |
| N37 | C38 | C39 | C45 | 140.1° | 148.5° |
| N37 | C38 | C46 | C47 | 43.0° | 37.7° |
| N37 | C38 | C46 | C51 | 141.7° | 142.7° |
| C38 | N37 | C30 | H301 | 50.9° | 177.7° |
| C31 | N36 | C34 | N33 | 1.4° | 0.5° |
| C31 | N36 | C34 | C47 | 177.0° | 179.5° |
| C31 | N36 | C34 | C35 | 179.5° | 179.5° |
| C31 | N36 | C47 | C46 | 36.8° | 33.7° |
| C31 | N36 | C47 | S48 | 138.3° | 146.3° |
| N36 | C31 | C30 | H301 | 53.8° | 179.5° |
| C41 | C40 | C39 | H401 | 180.0° | 180.0° |
| C40 | C41 | C42 | H411 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 179.2° | 180.0° |
| C41 | C40 | C39 | C45 | 1.1° | 0.3° |
| C40 | C41 | C42 | CL | 179.3° | 180.0° |
| C40 | C41 | C42 | C44 | 0.5° | 0.1° |
| C39 | C40 | C41 | C42 | 1.1° | 0.1° |
| C40 | C39 | C38 | C45 | 179.7° | 179.7° |
| C40 | C39 | C38 | C46 | 142.9° | 148.8° |
| C40 | C39 | C45 | C44 | 0.5° | 0.6° |
| C39 | C40 | C41 | H411 | 178.9° | 180.0° |
| C40 | C39 | C45 | H451 | 179.5° | 179.7° |
| N33 | C34 | N36 | C35 | 179.1° | 180.0° |
| N33 | C34 | N36 | C47 | 178.3° | 178.9° |
| N33 | C34 | C35 | H353 | 0.0° | 90.0° |
| N33 | C34 | C35 | H351 | 120.0° | 150.1° |
| N33 | C34 | C35 | H352 | 120.0° | 30.0° |
| C41 | C42 | CL | C44 | 179.8° | 179.9° |
| C41 | C42 | C44 | C45 | 0.1° | 0.2° |
| C42 | C41 | C40 | H401 | 178.9° | 179.9° |
| C41 | C42 | C44 | H441 | 179.9° | 180.0° |
| C39 | C38 | C46 | C47 | 133.8° | 142.3° |
| C39 | C38 | C46 | C51 | 41.5° | 37.2° |
| C38 | C39 | C45 | C44 | 179.8° | 179.7° |
| C38 | C39 | C40 | H401 | 0.8° | 0.0° |
| C38 | C39 | C45 | H451 | 0.2° | 0.0° |
| C38 | C46 | C47 | N36 | 5.9° | 3.8° |
| C46 | C38 | C39 | C45 | 36.8° | 31.5° |
| C38 | C46 | C47 | C51 | 175.8° | 179.6° |
| C38 | C46 | C47 | S48 | 178.2° | 176.2° |
| C38 | C46 | C51 | C52 | 4.9° | 2.9° |
| C38 | C46 | C51 | C49 | 177.8° | 177.0° |
| C34 | N36 | C47 | C46 | 146.4° | 146.9° |
| C34 | N36 | C47 | S48 | 38.5° | 33.1° |
| N36 | C34 | C35 | H353 | 178.9° | 90.0° |
| N36 | C34 | C35 | H351 | 58.9° | 29.9° |
| N36 | C34 | C35 | H352 | 61.0° | 150.0° |
| C47 | N36 | C34 | C35 | 2.5° | 1.0° |
| N36 | C47 | C46 | S48 | 175.9° | 180.0° |
| N36 | C47 | C46 | C51 | 178.3° | 176.6° |
| N36 | C47 | S48 | C49 | 177.3° | 177.3° |
| C39 | C45 | C44 | C42 | 0.1° | 0.5° |
| C39 | C45 | C44 | H451 | 180.0° | 179.7° |
| C45 | C39 | C40 | H401 | 178.9° | 179.8° |
| C39 | C45 | C44 | H441 | 179.9° | 179.6° |
| C34 | C35 | H353 | H351 | 120.0° | 120.0° |
| C34 | C35 | H353 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C47 | C46 | C51 | C52 | 179.4° | 177.5° |
| C47 | C46 | C51 | C49 | 2.1° | 2.5° |
| C46 | C47 | S48 | C49 | 1.6° | 2.7° |
| C51 | C46 | C47 | S48 | 2.4° | 3.4° |
| C46 | C51 | C52 | C49 | 177.2° | 179.9° |
| C46 | C51 | C49 | S48 | 0.8° | 0.4° |
| C46 | C51 | C49 | C50 | 178.8° | 179.6° |
| C46 | C51 | C52 | H521 | 88.4° | 94.9° |
| C46 | C51 | C52 | H522 | 151.7° | 145.0° |
| C46 | C51 | C52 | H523 | 31.6° | 25.0° |
| C47 | S48 | C49 | C51 | 0.5° | 1.3° |
| C47 | S48 | C49 | C50 | 179.8° | 178.7° |
| CL | C42 | C44 | C45 | 179.8° | 179.7° |
| CL | C42 | C41 | H411 | 0.7° | 0.0° |
| CL | C42 | C44 | H441 | 0.1° | 0.1° |
| C42 | C44 | C45 | H441 | 180.0° | 179.8° |
| C44 | C42 | C41 | H411 | 179.5° | 180.0° |
| C42 | C44 | C45 | H451 | 179.9° | 179.7° |
| C52 | C51 | C49 | S48 | 178.4° | 179.6° |
| C52 | C51 | C49 | C50 | 1.2° | 0.3° |
| C51 | C52 | H521 | H522 | 120.0° | 120.0° |
| C51 | C52 | H521 | H523 | 120.0° | 119.9° |
| C51 | C52 | H522 | H523 | 120.0° | 120.0° |
| C51 | C49 | S48 | C50 | 179.7° | 180.0° |
| C51 | C49 | C50 | H503 | 179.7° | 180.0° |
| C51 | C49 | C50 | H502 | 60.4° | 60.0° |
| C51 | C49 | C50 | H501 | 59.6° | 60.1° |
| C49 | C51 | C52 | H521 | 88.8° | 85.0° |
| C49 | C51 | C52 | H522 | 31.2° | 35.0° |
| C49 | C51 | C52 | H523 | 151.2° | 155.1° |
| S48 | C49 | C50 | H503 | 0.0° | 0.0° |
| S48 | C49 | C50 | H502 | 120.0° | 120.0° |
| S48 | C49 | C50 | H501 | 120.0° | 120.0° |
| C49 | C50 | H503 | H502 | 120.0° | 120.0° |
| C49 | C50 | H503 | H501 | 120.0° | 120.0° |
| C49 | C50 | H502 | H501 | 120.0° | 120.0° |
| H101 | C10 | C11 | H112 | 58.0° | 65.0° |
| H101 | C10 | C11 | H111 | 61.8° | 175.0° |
| H102 | C10 | C11 | H112 | 177.6° | 55.0° |
| H102 | C10 | C11 | H111 | 57.8° | 65.0° |
| H031 | N03 | C04 | H042 | 152.2° | 120.0° |
| H031 | N03 | C04 | H041 | 33.0° | 120.0° |
| H042 | C04 | C05 | H051 | 70.5° | 65.0° |
| H042 | C04 | C05 | H052 | 49.6° | 175.0° |
| H041 | C04 | C05 | H051 | 48.7° | 55.0° |
| H041 | C04 | C05 | H052 | 168.9° | 65.0° |
| H072 | C07 | C08 | H082 | 86.9° | 65.0° |
| H072 | C07 | C08 | H081 | 32.8° | 175.0° |
| H071 | C07 | C08 | H082 | 33.0° | 55.0° |
| H071 | C07 | C08 | H081 | 152.7° | 65.0° |
| H132 | C13 | C14 | H141 | 69.7° | 65.0° |
| H132 | C13 | C14 | H142 | 170.4° | 175.0° |
| H131 | C13 | C14 | H141 | 50.0° | 55.0° |
| H131 | C13 | C14 | H142 | 69.9° | 65.0° |
| H161 | C16 | C17 | H172 | 175.6° | 65.0° |
| H161 | C16 | C17 | H171 | 64.8° | 175.0° |
| H162 | C16 | C17 | H172 | 55.8° | 55.0° |
| H162 | C16 | C17 | H171 | 175.5° | 65.0° |
| H191 | C19 | C20 | H201 | 136.5° | 65.0° |
| H191 | C19 | C20 | H202 | 17.1° | 175.0° |
| H192 | C19 | C20 | H201 | 104.0° | 55.0° |
| H192 | C19 | C20 | H202 | 136.6° | 65.0° |
| H222 | C22 | C23 | H232 | 16.3° | 65.0° |
| H222 | C22 | C23 | H231 | 136.2° | 175.0° |
| H221 | C22 | C23 | H232 | 103.4° | 55.0° |
| H221 | C22 | C23 | H231 | 16.5° | 65.0° |
| H252 | C25 | C26 | H262 | 42.0° | 65.0° |
| H252 | C25 | C26 | H261 | 77.5° | 175.1° |
| H251 | C25 | C26 | H262 | 77.7° | 55.0° |
| H251 | C25 | C26 | H261 | 162.8° | 65.0° |
| H262 | C26 | N27 | H271 | 128.6° | 120.0° |
| H261 | C26 | N27 | H271 | 9.2° | 120.0° |
| H291 | C29 | C30 | H301 | 67.0° | 64.9° |
| H292 | C29 | C30 | H301 | 172.8° | 175.2° |
| H353 | C35 | H351 | H352 | 120.0° | 120.0° |
| H401 | C40 | C41 | H411 | 1.1° | 0.0° |
| H441 | C44 | C45 | H451 | 0.1° | 0.1° |
| H503 | C50 | H502 | H501 | 120.0° | 120.0° |
| H521 | C52 | H522 | H523 | 120.0° | 120.0° |
| H542 | C54 | C55 | H551 | 68.4° | 64.9° |
| H541 | C54 | C55 | H551 | 171.0° | 175.1° |
| H603 | C60 | H601 | H602 | 119.9° | 120.1° |
| H651 | C65 | C66 | H661 | 2.1° | 0.0° |
| H691 | C69 | C70 | H701 | 1.4° | 0.1° |
| H752 | C75 | H751 | H753 | 120.0° | 120.0° |
| H773 | C77 | H771 | H772 | 120.0° | 120.0° |
