MQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | S12 | sing | 1.81Å | 1.69Å | |
| C21 | C18 | sing | 1.53Å | 1.56Å | |
| O14 | S12 | doub | 1.42Å | 1.47Å | |
| S12 | C11 | sing | 1.81Å | 1.78Å | |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C09 | sing | 1.53Å | 1.47Å | |
| C17 | N16 | sing | 1.48Å | 1.50Å | |
| C17 | C22 | sing | 1.51Å | 1.64Å | |
| N16 | C15 | sing | 1.36Å | 1.38Å | |
| C47 | O46 | sing | 1.45Å | 1.43Å | |
| C15 | C09 | sing | 1.51Å | 1.52Å | |
| C15 | O59 | doub | 1.21Å | 1.22Å | |
| C09 | N08 | sing | 1.49Å | 1.52Å | |
| O46 | C45 | sing | 1.34Å | 1.36Å | |
| C45 | O48 | doub | 1.21Å | 1.23Å | |
| C45 | C44 | sing | 1.51Å | 1.52Å | |
| C44 | C38 | sing | 1.53Å | 1.48Å | |
| C22 | N23 | sing | 1.39Å | 1.41Å | |
| C22 | N27 | doub | 1.29Å | 1.30Å | |
| N08 | C07 | sing | 1.38Å | 1.40Å | |
| N23 | C24 | sing | 1.49Å | 1.43Å | |
| S43 | C39 | sing | 1.71Å | 1.72Å | Aromatic |
| S43 | C42 | sing | 1.76Å | 1.71Å | Aromatic |
| C28 | N27 | sing | 1.46Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C33 | sing | 1.51Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C32 | C29 | sing | 1.53Å | 1.54Å | |
| O58 | C33 | doub | 1.21Å | 1.20Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C38 | N37 | sing | 1.47Å | 1.47Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C33 | N34 | sing | 1.35Å | 1.42Å | |
| C07 | O60 | doub | 1.21Å | 1.22Å | |
| C07 | C06 | sing | 1.52Å | 1.57Å | |
| C03 | C04 | sing | 1.54Å | 1.52Å | |
| C03 | C02 | sing | 1.54Å | 1.52Å | |
| C39 | N40 | doub | 1.29Å | 1.32Å | Aromatic |
| N37 | C36 | sing | 1.35Å | 1.36Å | |
| C24 | C25 | sing | 1.51Å | 1.58Å | |
| C04 | N05 | sing | 1.46Å | 1.48Å | |
| C42 | C41 | doub | 1.34Å | 1.35Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| N05 | C25 | sing | 1.36Å | 1.40Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| N34 | C35 | sing | 1.46Å | 1.49Å | |
| C02 | C06 | sing | 1.53Å | 1.54Å | |
| C36 | O49 | doub | 1.21Å | 1.22Å | |
| C36 | C35 | sing | 1.51Å | 1.53Å | |
| N40 | C41 | sing | 1.32Å | 1.40Å | Aromatic |
| C35 | C50 | sing | 1.53Å | 1.58Å | |
| C50 | C51 | sing | 1.51Å | 1.49Å | |
| C50 | C57 | sing | 1.53Å | 1.52Å | |
| C51 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.41Å | Aromatic |
| C56 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | 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 | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H573 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| N37 | H371 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | S12 | O14 | 116.8° | 109.5° |
| C13 | S12 | C11 | 124.7° | 103.0° |
| S12 | C13 | H132 | 109.5° | 109.5° |
| S12 | C13 | H133 | 109.5° | 109.5° |
| S12 | C13 | H131 | 109.5° | 109.5° |
| C21 | C18 | C20 | 106.7° | 109.5° |
| C21 | C18 | C19 | 109.6° | 109.5° |
| C21 | C18 | C17 | 108.3° | 109.5° |
| C18 | C21 | H213 | 109.5° | 109.5° |
| C18 | C21 | H212 | 109.5° | 109.5° |
| C18 | C21 | H211 | 109.5° | 109.4° |
| O14 | S12 | C11 | 118.5° | 109.5° |
| S12 | C11 | C10 | 107.3° | 109.5° |
| S12 | C11 | H112 | 110.0° | 109.5° |
| S12 | C11 | H111 | 110.0° | 109.4° |
| C20 | C18 | C19 | 111.4° | 109.5° |
| C20 | C18 | C17 | 113.9° | 109.5° |
| C18 | C20 | H203 | 109.5° | 109.4° |
| C18 | C20 | H201 | 109.4° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.5° |
| C19 | C18 | C17 | 106.7° | 109.4° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C17 | N16 | 115.5° | 110.2° |
| C18 | C17 | C22 | 121.3° | 110.1° |
| C18 | C17 | H171 | 108.7° | 110.3° |
| C11 | C10 | C09 | 112.7° | 109.5° |
| C11 | C10 | H102 | 108.6° | 109.5° |
| C11 | C10 | H101 | 108.6° | 109.4° |
| C10 | C11 | H112 | 110.0° | 109.5° |
| C10 | C11 | H111 | 110.0° | 109.5° |
| C10 | C09 | C15 | 120.1° | 110.2° |
| C10 | C09 | N08 | 111.8° | 110.3° |
| C09 | C10 | H102 | 108.7° | 109.5° |
| C09 | C10 | H101 | 108.6° | 109.5° |
| C10 | C09 | H091 | 108.9° | 110.2° |
| N16 | C17 | C22 | 95.5° | 106.0° |
| C17 | N16 | C15 | 126.1° | 115.8° |
| N16 | C17 | H171 | 108.1° | 110.2° |
| C17 | N16 | H161 | 116.9° | 122.1° |
| C17 | C22 | N23 | 112.9° | 118.5° |
| C17 | C22 | N27 | 125.3° | 120.8° |
| C22 | C17 | H171 | 106.5° | 110.1° |
| N16 | C15 | C09 | 123.8° | 119.5° |
| N16 | C15 | O59 | 119.9° | 120.2° |
| C15 | N16 | H161 | 117.0° | 122.1° |
| C47 | O46 | C45 | 114.8° | 117.0° |
| O46 | C47 | H473 | 109.5° | 109.5° |
| O46 | C47 | H471 | 109.5° | 109.5° |
| O46 | C47 | H472 | 109.5° | 109.5° |
| C09 | C15 | O59 | 116.3° | 120.2° |
| C15 | C09 | N08 | 98.7° | 105.4° |
| C15 | C09 | H091 | 108.3° | 110.3° |
| C09 | N08 | C07 | 127.5° | 114.3° |
| N08 | C09 | H091 | 108.2° | 110.4° |
| C09 | N08 | H081 | 116.3° | 122.9° |
| O46 | C45 | O48 | 119.9° | 120.0° |
| O46 | C45 | C44 | 114.7° | 120.0° |
| O48 | C45 | C44 | 125.3° | 120.0° |
| C45 | C44 | C38 | 106.6° | 109.5° |
| C45 | C44 | H442 | 110.2° | 109.5° |
| C45 | C44 | H441 | 110.2° | 109.5° |
| C44 | C38 | C39 | 116.1° | 109.5° |
| C44 | C38 | N37 | 107.4° | 109.4° |
| C44 | C38 | H381 | 107.5° | 109.5° |
| C38 | C44 | H442 | 110.2° | 109.5° |
| C38 | C44 | H441 | 110.2° | 109.5° |
| N23 | C22 | N27 | 121.7° | 120.7° |
| C22 | N23 | C24 | 126.5° | 113.9° |
| C22 | N23 | H231 | 116.7° | 123.0° |
| C22 | N27 | C28 | 131.4° | 120.0° |
| N08 | C07 | O60 | 122.2° | 122.5° |
| N08 | C07 | C06 | 116.6° | 115.0° |
| C07 | N08 | H081 | 116.3° | 122.8° |
| N23 | C24 | C25 | 102.7° | 107.0° |
| N23 | C24 | H241 | 111.2° | 110.0° |
| N23 | C24 | H242 | 111.2° | 109.9° |
| C24 | N23 | H231 | 116.7° | 123.1° |
| C39 | S43 | C42 | 89.7° | 90.3° |
| S43 | C39 | C38 | 123.5° | 124.9° |
| S43 | C39 | N40 | 114.5° | 110.1° |
| S43 | C42 | C41 | 111.0° | 107.9° |
| S43 | C42 | H421 | 124.5° | 126.1° |
| N27 | C28 | C29 | 111.8° | 109.4° |
| N27 | C28 | C33 | 109.2° | 109.5° |
| N27 | C28 | H281 | 110.1° | 109.5° |
| C29 | C28 | C33 | 107.4° | 109.4° |
| C28 | C29 | C30 | 112.0° | 109.4° |
| C28 | C29 | C32 | 112.5° | 109.5° |
| C28 | C29 | C31 | 109.2° | 109.5° |
| C29 | C28 | H281 | 109.2° | 109.5° |
| C28 | C33 | O58 | 121.7° | 120.0° |
| C28 | C33 | N34 | 118.2° | 120.0° |
| C33 | C28 | H281 | 109.1° | 109.5° |
| C30 | C29 | C32 | 109.0° | 109.4° |
| C30 | C29 | C31 | 106.4° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C32 | C29 | C31 | 107.5° | 109.5° |
| C29 | C32 | H322 | 109.5° | 109.5° |
| C29 | C32 | H321 | 109.5° | 109.5° |
| C29 | C32 | H323 | 109.5° | 109.4° |
| O58 | C33 | N34 | 120.0° | 120.0° |
| C39 | C38 | N37 | 110.5° | 109.5° |
| C38 | C39 | N40 | 122.0° | 124.9° |
| C39 | C38 | H381 | 107.4° | 109.5° |
| C38 | N37 | C36 | 118.5° | 120.0° |
| N37 | C38 | H381 | 107.7° | 109.4° |
| C38 | N37 | H371 | 120.7° | 120.0° |
| C29 | C31 | H313 | 109.5° | 109.4° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H312 | 109.4° | 109.5° |
| C33 | N34 | C35 | 125.6° | 120.0° |
| C33 | N34 | H341 | 117.2° | 120.0° |
| O60 | C07 | C06 | 121.2° | 122.5° |
| C07 | C06 | N05 | 104.8° | 107.8° |
| C07 | C06 | C02 | 113.8° | 109.2° |
| C07 | C06 | H061 | 109.9° | 109.5° |
| C04 | C03 | C02 | 104.9° | 105.9° |
| C03 | C04 | N05 | 105.6° | 108.2° |
| C04 | C03 | H032 | 110.6° | 110.2° |
| C04 | C03 | H031 | 110.6° | 110.2° |
| C03 | C04 | H042 | 110.4° | 109.6° |
| C03 | C04 | H041 | 110.4° | 109.7° |
| C03 | C02 | C01 | 116.1° | 110.1° |
| C03 | C02 | C06 | 103.9° | 106.4° |
| C03 | C02 | H021 | 107.8° | 110.0° |
| C02 | C03 | H032 | 110.6° | 109.7° |
| C02 | C03 | H031 | 110.6° | 110.6° |
| C39 | N40 | C41 | 110.3° | 117.2° |
| N37 | C36 | O49 | 117.4° | 120.0° |
| N37 | C36 | C35 | 123.6° | 120.0° |
| C36 | N37 | H371 | 120.7° | 120.0° |
| C24 | C25 | N05 | 124.2° | 120.9° |
| C24 | C25 | O26 | 120.3° | 119.3° |
| C25 | C24 | H241 | 111.1° | 109.9° |
| C25 | C24 | H242 | 111.1° | 110.0° |
| C04 | N05 | C25 | 122.8° | 126.5° |
| C04 | N05 | C06 | 110.1° | 109.7° |
| N05 | C04 | H042 | 110.4° | 110.3° |
| N05 | C04 | H041 | 110.4° | 109.5° |
| C42 | C41 | N40 | 114.5° | 114.5° |
| C42 | C41 | H411 | 122.7° | 122.8° |
| C41 | C42 | H421 | 124.5° | 126.0° |
| C01 | C02 | C06 | 113.1° | 110.1° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.1° | 110.1° |
| C25 | N05 | C06 | 127.1° | 123.9° |
| N05 | C25 | O26 | 115.1° | 119.8° |
| N05 | C06 | C02 | 106.4° | 108.1° |
| N05 | C06 | H061 | 111.5° | 111.4° |
| N34 | C35 | C36 | 118.6° | 109.5° |
| N34 | C35 | C50 | 108.4° | 109.5° |
| N34 | C35 | H351 | 106.6° | 109.4° |
| C35 | N34 | H341 | 117.2° | 120.0° |
| C06 | C02 | H021 | 107.5° | 110.1° |
| C02 | C06 | H061 | 110.3° | 110.8° |
| O49 | C36 | C35 | 119.0° | 120.0° |
| C36 | C35 | C50 | 110.6° | 109.5° |
| C36 | C35 | H351 | 106.1° | 109.5° |
| N40 | C41 | H411 | 122.7° | 122.7° |
| C35 | C50 | C51 | 109.1° | 109.5° |
| C35 | C50 | C57 | 112.4° | 109.5° |
| C50 | C35 | H351 | 105.6° | 109.5° |
| C35 | C50 | H501 | 108.0° | 109.5° |
| C51 | C50 | C57 | 109.3° | 109.5° |
| C50 | C51 | C56 | 123.9° | 120.0° |
| C50 | C51 | C52 | 119.4° | 120.0° |
| C51 | C50 | H501 | 109.1° | 109.5° |
| C57 | C50 | H501 | 108.8° | 109.5° |
| C50 | C57 | H572 | 109.5° | 109.5° |
| C50 | C57 | H571 | 109.4° | 109.5° |
| C50 | C57 | H573 | 109.5° | 109.4° |
| C56 | C51 | C52 | 116.7° | 120.0° |
| C51 | C56 | C55 | 121.5° | 120.0° |
| C51 | C56 | H561 | 119.2° | 119.9° |
| C51 | C52 | C53 | 122.2° | 120.0° |
| C51 | C52 | H521 | 118.9° | 120.0° |
| C56 | C55 | C54 | 121.0° | 120.0° |
| C56 | C55 | H551 | 119.5° | 120.0° |
| C55 | C56 | H561 | 119.3° | 120.0° |
| C52 | C53 | C54 | 120.1° | 120.0° |
| C53 | C52 | H521 | 118.9° | 120.0° |
| C52 | C53 | H531 | 120.0° | 120.1° |
| C55 | C54 | C53 | 118.5° | 120.0° |
| C55 | C54 | H541 | 120.7° | 120.0° |
| C54 | C55 | H551 | 119.5° | 120.0° |
| C54 | C53 | H531 | 119.9° | 120.0° |
| C53 | C54 | H541 | 120.7° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H133 | C13 | H131 | 109.4° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.4° |
| H203 | C20 | H202 | 109.4° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 110.1° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 110.2° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.4° | 109.5° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H442 | C44 | H441 | 109.4° | 109.5° |
| H473 | C47 | H471 | 109.5° | 109.4° |
| H473 | C47 | H472 | 109.4° | 109.4° |
| H471 | C47 | H472 | 109.4° | 109.5° |
| H572 | C57 | H571 | 109.5° | 109.5° |
| H572 | C57 | H573 | 109.5° | 109.5° |
| H571 | C57 | H573 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | S12 | O14 | C11 | 177.1° | 112.2° |
| C13 | S12 | C11 | C10 | 77.1° | 180.0° |
| S12 | C13 | H132 | H133 | 120.0° | 120.0° |
| S12 | C13 | H132 | H131 | 120.0° | 120.0° |
| S12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C13 | S12 | C11 | H112 | 42.5° | 60.0° |
| C13 | S12 | C11 | H111 | 163.2° | 60.0° |
| C21 | C18 | C20 | C19 | 119.6° | 120.0° |
| C21 | C18 | C20 | C17 | 119.5° | 120.0° |
| C21 | C18 | C19 | C17 | 117.1° | 120.0° |
| C21 | C18 | C17 | N16 | 72.8° | 167.7° |
| C21 | C18 | C17 | C22 | 172.7° | 75.7° |
| C21 | C18 | C17 | H171 | 48.8° | 45.9° |
| C21 | C18 | C20 | H203 | 180.0° | 80.1° |
| C21 | C18 | C20 | H201 | 60.0° | 160.0° |
| C21 | C18 | C20 | H202 | 60.0° | 39.9° |
| C18 | C21 | H213 | H212 | 120.0° | 120.0° |
| C18 | C21 | H213 | H211 | 120.0° | 120.0° |
| C18 | C21 | H212 | H211 | 120.0° | 119.9° |
| C21 | C18 | C19 | H191 | 180.0° | 92.2° |
| C21 | C18 | C19 | H192 | 60.0° | 27.8° |
| C21 | C18 | C19 | H193 | 60.0° | 147.8° |
| O14 | S12 | C11 | C10 | 99.8° | 63.6° |
| O14 | S12 | C13 | H132 | 0.0° | 63.6° |
| O14 | S12 | C13 | H133 | 120.0° | 176.4° |
| O14 | S12 | C13 | H131 | 120.0° | 56.4° |
| O14 | S12 | C11 | H112 | 140.5° | 176.3° |
| O14 | S12 | C11 | H111 | 19.9° | 56.4° |
| S12 | C11 | C10 | H112 | 119.7° | 120.1° |
| S12 | C11 | C10 | H111 | 119.7° | 120.0° |
| S12 | C11 | C10 | C09 | 152.6° | 175.0° |
| S12 | C11 | C10 | H102 | 32.1° | 54.9° |
| S12 | C11 | C10 | H101 | 86.9° | 65.0° |
| C11 | S12 | C13 | H132 | 176.9° | 180.0° |
| C11 | S12 | C13 | H133 | 63.0° | 60.0° |
| C11 | S12 | C13 | H131 | 56.9° | 60.0° |
| S12 | C11 | H112 | H111 | 121.0° | 120.0° |
| C20 | C18 | C19 | C17 | 125.0° | 120.0° |
| C20 | C18 | C17 | N16 | 45.8° | 72.2° |
| C20 | C18 | C17 | C22 | 68.7° | 44.3° |
| C20 | C18 | C17 | H171 | 167.5° | 165.9° |
| C18 | C20 | H203 | H201 | 120.0° | 120.0° |
| C18 | C20 | H203 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H202 | 120.0° | 120.1° |
| C20 | C18 | C21 | H213 | 180.0° | 60.0° |
| C20 | C18 | C21 | H212 | 60.0° | 180.0° |
| C20 | C18 | C21 | H211 | 60.0° | 60.1° |
| C20 | C18 | C19 | H191 | 62.1° | 27.8° |
| C20 | C18 | C19 | H192 | 177.9° | 147.8° |
| C20 | C18 | C19 | H193 | 57.9° | 92.1° |
| C19 | C18 | C17 | N16 | 169.2° | 47.8° |
| C19 | C18 | C17 | C22 | 54.7° | 164.3° |
| C19 | C18 | C17 | H171 | 69.1° | 74.0° |
| C19 | C18 | C20 | H203 | 60.4° | 40.0° |
| C19 | C18 | C20 | H201 | 59.7° | 80.0° |
| C19 | C18 | C20 | H202 | 179.7° | 159.9° |
| C19 | C18 | C21 | H213 | 59.2° | 180.0° |
| C19 | C18 | C21 | H212 | 179.2° | 60.0° |
| C19 | C18 | C21 | H211 | 60.8° | 60.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 119.9° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | C17 | N16 | C22 | 128.6° | 119.1° |
| C18 | C17 | N16 | H171 | 122.0° | 121.9° |
| C18 | C17 | C22 | H171 | 124.9° | 121.8° |
| C18 | C17 | N16 | C15 | 155.9° | 30.5° |
| C18 | C17 | C22 | N23 | 71.0° | 40.5° |
| C18 | C17 | C22 | N27 | 112.2° | 139.6° |
| C17 | C18 | C20 | H203 | 60.5° | 159.9° |
| C17 | C18 | C20 | H201 | 179.5° | 40.0° |
| C17 | C18 | C20 | H202 | 59.5° | 80.1° |
| C17 | C18 | C21 | H213 | 56.9° | 60.0° |
| C17 | C18 | C21 | H212 | 63.1° | 60.0° |
| C17 | C18 | C21 | H211 | 176.9° | 179.9° |
| C17 | C18 | C19 | H191 | 62.9° | 147.8° |
| C17 | C18 | C19 | H192 | 57.1° | 92.2° |
| C17 | C18 | C19 | H193 | 177.1° | 27.9° |
| C18 | C17 | N16 | H161 | 24.2° | 149.5° |
| C11 | C10 | C09 | H102 | 120.5° | 120.0° |
| C11 | C10 | C09 | H101 | 120.5° | 120.0° |
| C11 | C10 | C09 | C15 | 179.9° | 65.5° |
| C11 | C10 | C09 | N08 | 65.0° | 178.6° |
| C11 | C10 | H102 | H101 | 118.5° | 119.9° |
| C11 | C10 | C09 | H091 | 54.5° | 56.4° |
| C10 | C11 | H112 | H111 | 121.0° | 120.0° |
| C10 | C09 | C15 | N16 | 46.3° | 160.1° |
| C10 | C09 | C15 | N08 | 121.6° | 119.0° |
| C10 | C09 | C15 | H091 | 125.9° | 121.9° |
| C10 | C09 | C15 | O59 | 136.4° | 19.6° |
| C10 | C09 | N08 | H091 | 119.9° | 122.0° |
| C10 | C09 | N08 | C07 | 104.9° | 68.6° |
| C09 | C10 | H102 | H101 | 118.5° | 120.0° |
| C09 | C10 | C11 | H112 | 87.7° | 65.0° |
| C09 | C10 | C11 | H111 | 32.9° | 55.0° |
| C10 | C09 | N08 | H081 | 75.1° | 111.4° |
| N16 | C17 | C22 | H171 | 110.7° | 119.1° |
| C17 | N16 | C15 | H161 | 180.0° | 180.0° |
| C17 | N16 | C15 | C09 | 174.2° | 140.8° |
| C17 | N16 | C15 | O59 | 2.9° | 39.5° |
| N16 | C17 | C22 | N23 | 53.4° | 78.7° |
| N16 | C17 | C22 | N27 | 123.4° | 101.3° |
| C22 | C17 | N16 | C15 | 75.5° | 88.6° |
| C17 | C22 | N23 | N27 | 176.9° | 179.9° |
| C17 | C22 | N23 | C24 | 172.9° | 158.3° |
| C17 | C22 | N27 | C28 | 5.6° | 4.8° |
| C22 | C17 | N16 | H161 | 104.5° | 91.4° |
| C17 | C22 | N23 | H231 | 7.2° | 21.8° |
| N16 | C15 | C09 | O59 | 177.3° | 179.7° |
| N16 | C15 | C09 | N08 | 75.2° | 80.9° |
| C15 | N16 | C17 | H171 | 33.9° | 152.3° |
| N16 | C15 | C09 | H091 | 172.2° | 38.3° |
| C47 | O46 | C45 | O48 | 23.0° | 0.0° |
| C47 | O46 | C45 | C44 | 159.2° | 180.0° |
| O46 | C47 | H473 | H471 | 120.0° | 120.0° |
| O46 | C47 | H473 | H472 | 120.0° | 120.0° |
| O46 | C47 | H471 | H472 | 120.0° | 120.1° |
| C15 | C09 | N08 | H091 | 112.6° | 119.0° |
| C15 | C09 | N08 | C07 | 127.7° | 172.5° |
| C15 | C09 | C10 | H102 | 59.6° | 174.5° |
| C15 | C09 | C10 | H101 | 59.4° | 54.5° |
| C15 | C09 | N08 | H081 | 52.4° | 7.6° |
| C09 | C15 | N16 | H161 | 5.7° | 39.2° |
| O59 | C15 | C09 | N08 | 102.0° | 99.4° |
| O59 | C15 | C09 | H091 | 10.5° | 141.5° |
| O59 | C15 | N16 | H161 | 177.1° | 140.5° |
| C09 | N08 | C07 | H081 | 180.0° | 179.9° |
| C09 | N08 | C07 | O60 | 0.6° | 0.8° |
| C09 | N08 | C07 | C06 | 179.6° | 179.2° |
| N08 | C09 | C10 | H102 | 174.5° | 58.5° |
| N08 | C09 | C10 | H101 | 55.5° | 61.5° |
| O46 | C45 | O48 | C44 | 177.5° | 179.9° |
| O46 | C45 | C44 | C38 | 99.6° | 180.0° |
| O46 | C45 | C44 | H442 | 140.8° | 60.0° |
| O46 | C45 | C44 | H441 | 19.9° | 60.0° |
| C45 | O46 | C47 | H473 | 180.0° | 60.0° |
| C45 | O46 | C47 | H471 | 60.0° | 180.0° |
| C45 | O46 | C47 | H472 | 60.0° | 60.0° |
| O48 | C45 | C44 | C38 | 78.0° | 0.0° |
| O48 | C45 | C44 | H442 | 41.6° | 120.0° |
| O48 | C45 | C44 | H441 | 162.5° | 120.0° |
| C45 | C44 | C38 | H442 | 119.6° | 120.0° |
| C45 | C44 | C38 | H441 | 119.6° | 120.0° |
| C45 | C44 | C38 | C39 | 153.9° | 175.0° |
| C45 | C44 | C38 | N37 | 81.9° | 65.0° |
| C45 | C44 | C38 | H381 | 33.7° | 55.0° |
| C45 | C44 | H442 | H441 | 121.3° | 120.0° |
| C44 | C38 | C39 | S43 | 5.4° | 75.3° |
| C44 | C38 | C39 | N37 | 122.5° | 120.0° |
| C44 | C38 | C39 | H381 | 120.3° | 120.1° |
| C44 | C38 | N37 | H381 | 115.5° | 120.0° |
| C44 | C38 | C39 | N40 | 176.0° | 105.0° |
| C44 | C38 | N37 | C36 | 126.0° | 155.0° |
| C38 | C44 | H442 | H441 | 121.3° | 120.0° |
| C44 | C38 | N37 | H371 | 54.1° | 25.0° |
| C22 | N23 | C24 | H231 | 180.0° | 179.9° |
| N23 | C22 | N27 | C28 | 177.9° | 175.3° |
| C22 | N23 | C24 | C25 | 87.5° | 84.4° |
| N23 | C22 | C17 | H171 | 164.0° | 162.3° |
| C22 | N23 | C24 | H241 | 31.4° | 156.3° |
| C22 | N23 | C24 | H242 | 153.6° | 34.9° |
| N27 | C22 | N23 | C24 | 4.0° | 21.6° |
| C22 | N27 | C28 | C29 | 127.0° | 126.1° |
| C22 | N27 | C28 | C33 | 114.3° | 114.0° |
| N27 | C22 | C17 | H171 | 12.7° | 17.8° |
| C22 | N27 | C28 | H281 | 5.4° | 6.1° |
| N27 | C22 | N23 | H231 | 175.9° | 158.3° |
| N08 | C07 | O60 | C06 | 179.8° | 180.0° |
| N08 | C07 | C06 | N05 | 20.9° | 6.5° |
| N08 | C07 | C06 | C02 | 94.9° | 110.7° |
| N08 | C07 | C06 | H061 | 140.8° | 127.8° |
| C07 | N08 | C09 | H091 | 15.0° | 53.4° |
| N23 | C24 | C25 | H241 | 118.9° | 119.3° |
| N23 | C24 | C25 | H242 | 118.9° | 119.4° |
| N23 | C24 | C25 | N05 | 95.7° | 108.9° |
| N23 | C24 | C25 | O26 | 76.7° | 70.6° |
| N23 | C24 | H241 | H242 | 123.2° | 121.3° |
| S43 | C39 | C38 | N40 | 178.5° | 179.7° |
| S43 | C39 | C38 | N37 | 128.0° | 44.7° |
| C39 | S43 | C42 | C41 | 0.1° | 0.2° |
| S43 | C39 | N40 | C41 | 0.3° | 0.3° |
| S43 | C39 | C38 | H381 | 114.9° | 164.7° |
| C39 | S43 | C42 | H421 | 179.9° | 179.8° |
| C42 | S43 | C39 | C38 | 178.4° | 180.0° |
| C42 | S43 | C39 | N40 | 0.2° | 0.3° |
| S43 | C42 | C41 | H421 | 180.0° | 180.0° |
| S43 | C42 | C41 | N40 | 0.0° | 0.1° |
| S43 | C42 | C41 | H411 | 180.0° | 179.9° |
| N27 | C28 | C29 | C33 | 119.8° | 119.9° |
| N27 | C28 | C29 | H281 | 122.1° | 120.0° |
| N27 | C28 | C33 | H281 | 120.3° | 120.0° |
| N27 | C28 | C29 | C30 | 54.3° | 56.7° |
| N27 | C28 | C29 | C32 | 177.5° | 176.7° |
| N27 | C28 | C33 | O58 | 158.7° | 24.6° |
| N27 | C28 | C29 | C31 | 63.3° | 63.3° |
| N27 | C28 | C33 | N34 | 24.1° | 155.4° |
| C29 | C28 | C33 | H281 | 118.3° | 120.0° |
| C28 | C29 | C30 | C32 | 125.1° | 119.9° |
| C28 | C29 | C30 | C31 | 119.3° | 120.0° |
| C28 | C29 | C32 | C31 | 120.2° | 120.1° |
| C29 | C28 | C33 | O58 | 79.9° | 95.3° |
| C29 | C28 | C33 | N34 | 97.3° | 84.7° |
| C28 | C29 | C30 | H302 | 180.0° | 60.1° |
| C28 | C29 | C30 | H301 | 60.0° | 179.9° |
| C28 | C29 | C30 | H303 | 60.0° | 60.0° |
| C28 | C29 | C31 | H313 | 180.0° | 60.0° |
| C28 | C29 | C31 | H311 | 60.0° | 180.0° |
| C28 | C29 | C31 | H312 | 60.0° | 59.9° |
| C28 | C29 | C32 | H322 | 180.0° | 53.3° |
| C28 | C29 | C32 | H321 | 60.0° | 173.3° |
| C28 | C29 | C32 | H323 | 60.0° | 66.8° |
| C33 | C28 | C29 | C30 | 174.1° | 176.7° |
| C33 | C28 | C29 | C32 | 62.8° | 63.4° |
| C28 | C33 | O58 | N34 | 177.2° | 180.0° |
| C33 | C28 | C29 | C31 | 56.5° | 56.7° |
| C28 | C33 | N34 | C35 | 176.3° | 175.3° |
| C28 | C33 | N34 | H341 | 3.6° | 4.7° |
| C30 | C29 | C32 | C31 | 114.9° | 120.0° |
| C30 | C29 | C28 | H281 | 67.8° | 63.3° |
| C29 | C30 | H302 | H301 | 120.0° | 119.9° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C30 | C29 | C31 | H313 | 58.9° | 180.0° |
| C30 | C29 | C31 | H311 | 61.1° | 60.0° |
| C30 | C29 | C31 | H312 | 178.9° | 60.0° |
| C30 | C29 | C32 | H322 | 55.1° | 66.6° |
| C30 | C29 | C32 | H321 | 175.2° | 53.4° |
| C30 | C29 | C32 | H323 | 64.8° | 173.3° |
| C32 | C29 | C28 | H281 | 55.4° | 56.6° |
| C32 | C29 | C30 | H302 | 54.9° | 180.0° |
| C32 | C29 | C30 | H301 | 65.2° | 60.0° |
| C32 | C29 | C30 | H303 | 174.9° | 60.0° |
| C32 | C29 | C31 | H313 | 57.7° | 60.0° |
| C32 | C29 | C31 | H311 | 177.7° | 59.9° |
| C32 | C29 | C31 | H312 | 62.3° | 180.0° |
| C29 | C32 | H322 | H321 | 120.0° | 120.0° |
| C29 | C32 | H322 | H323 | 120.0° | 120.0° |
| C29 | C32 | H321 | H323 | 120.0° | 119.9° |
| O58 | C33 | N34 | C35 | 0.9° | 4.8° |
| O58 | C33 | C28 | H281 | 38.4° | 144.6° |
| O58 | C33 | N34 | H341 | 179.1° | 175.3° |
| C39 | C38 | N37 | H381 | 117.0° | 120.0° |
| C39 | C38 | N37 | C36 | 106.5° | 85.0° |
| C38 | C39 | N40 | C41 | 178.4° | 180.0° |
| C39 | C38 | C44 | H442 | 86.5° | 55.0° |
| C39 | C38 | C44 | H441 | 34.4° | 65.0° |
| C39 | C38 | N37 | H371 | 73.4° | 95.0° |
| N37 | C38 | C39 | N40 | 53.5° | 135.0° |
| C38 | N37 | C36 | H371 | 180.0° | 179.9° |
| C38 | N37 | C36 | O49 | 1.8° | 5.6° |
| C38 | N37 | C36 | C35 | 179.9° | 174.4° |
| N37 | C38 | C44 | H442 | 37.7° | 175.0° |
| N37 | C38 | C44 | H441 | 158.5° | 55.0° |
| C31 | C29 | C28 | H281 | 174.6° | 176.7° |
| C31 | C29 | C30 | H302 | 60.7° | 60.0° |
| C31 | C29 | C30 | H301 | 179.3° | 60.0° |
| C31 | C29 | C30 | H303 | 59.3° | 180.0° |
| C29 | C31 | H313 | H311 | 120.0° | 120.0° |
| C29 | C31 | H313 | H312 | 120.0° | 120.0° |
| C29 | C31 | H311 | H312 | 120.0° | 120.1° |
| C31 | C29 | C32 | H322 | 59.8° | 173.4° |
| C31 | C29 | C32 | H321 | 60.3° | 66.6° |
| C31 | C29 | C32 | H323 | 179.8° | 53.3° |
| C33 | N34 | C35 | H341 | 180.0° | 180.0° |
| C33 | N34 | C35 | C36 | 73.2° | 155.0° |
| C33 | N34 | C35 | C50 | 159.7° | 85.0° |
| N34 | C33 | C28 | H281 | 144.4° | 35.3° |
| C33 | N34 | C35 | H351 | 46.3° | 35.0° |
| O60 | C07 | C06 | N05 | 159.3° | 173.5° |
| O60 | C07 | C06 | C02 | 84.9° | 69.3° |
| O60 | C07 | C06 | H061 | 39.4° | 52.2° |
| O60 | C07 | N08 | H081 | 179.4° | 179.1° |
| C07 | C06 | C02 | C03 | 92.3° | 125.0° |
| C07 | C06 | N05 | C04 | 114.8° | 131.5° |
| C07 | C06 | C02 | C01 | 34.5° | 5.7° |
| C07 | C06 | N05 | C25 | 64.2° | 47.1° |
| C07 | C06 | N05 | C02 | 120.8° | 117.9° |
| C07 | C06 | N05 | H061 | 118.8° | 120.2° |
| C07 | C06 | C02 | H061 | 124.0° | 120.7° |
| C07 | C06 | C02 | H021 | 153.7° | 115.8° |
| C06 | C07 | N08 | H081 | 0.4° | 0.9° |
| C04 | C03 | C02 | H032 | 119.3° | 118.9° |
| C04 | C03 | C02 | H031 | 119.3° | 119.4° |
| C03 | C04 | N05 | H042 | 119.4° | 120.0° |
| C03 | C04 | N05 | H041 | 119.4° | 119.4° |
| C04 | C03 | C02 | C01 | 155.1° | 119.3° |
| C03 | C04 | N05 | C25 | 165.9° | 164.9° |
| C03 | C04 | N05 | C06 | 13.1° | 13.6° |
| C04 | C03 | C02 | C06 | 30.3° | 0.0° |
| C04 | C03 | C02 | H021 | 83.5° | 119.1° |
| C04 | C03 | H032 | H031 | 122.1° | 121.8° |
| C03 | C04 | H042 | H041 | 121.8° | 120.4° |
| C02 | C03 | C04 | N05 | 27.1° | 8.2° |
| C03 | C02 | C01 | C06 | 119.9° | 117.0° |
| C03 | C02 | C01 | H021 | 121.2° | 121.5° |
| C03 | C02 | C06 | N05 | 22.6° | 8.0° |
| C03 | C02 | C06 | H021 | 114.0° | 119.2° |
| C03 | C02 | C01 | H012 | 180.0° | 177.4° |
| C03 | C02 | C01 | H013 | 60.0° | 57.4° |
| C03 | C02 | C01 | H011 | 60.0° | 62.6° |
| C02 | C03 | H032 | H031 | 122.1° | 122.0° |
| C02 | C03 | C04 | H042 | 146.5° | 128.6° |
| C02 | C03 | C04 | H041 | 92.2° | 111.2° |
| C03 | C02 | C06 | H061 | 143.7° | 114.2° |
| C39 | N40 | C41 | C42 | 0.2° | 0.1° |
| N40 | C39 | C38 | H381 | 63.7° | 15.0° |
| C39 | N40 | C41 | H411 | 179.8° | 179.8° |
| N37 | C36 | C35 | N34 | 26.8° | 168.2° |
| N37 | C36 | O49 | C35 | 178.2° | 180.0° |
| N37 | C36 | C35 | C50 | 99.3° | 71.7° |
| N37 | C36 | C35 | H351 | 146.6° | 48.3° |
| C36 | N37 | C38 | H381 | 10.4° | 35.0° |
| C24 | C25 | N05 | C04 | 4.7° | 17.9° |
| C24 | C25 | N05 | O26 | 172.8° | 179.5° |
| C24 | C25 | N05 | C06 | 174.2° | 160.4° |
| C25 | C24 | H241 | H242 | 123.1° | 121.2° |
| C25 | C24 | N23 | H231 | 92.5° | 95.7° |
| C04 | N05 | C25 | C06 | 178.9° | 178.3° |
| C04 | N05 | C25 | O26 | 177.5° | 162.6° |
| C04 | N05 | C06 | C02 | 6.0° | 13.6° |
| N05 | C04 | C03 | H032 | 146.4° | 110.3° |
| N05 | C04 | C03 | H031 | 92.1° | 127.8° |
| N05 | C04 | H042 | H041 | 121.8° | 120.6° |
| C04 | N05 | C06 | H061 | 126.4° | 108.4° |
| C42 | C41 | N40 | H411 | 180.0° | 180.0° |
| C01 | C02 | C06 | N05 | 149.3° | 111.3° |
| C01 | C02 | C06 | H021 | 119.2° | 121.6° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H032 | 85.6° | 0.5° |
| C01 | C02 | C03 | H031 | 35.9° | 121.3° |
| C01 | C02 | C06 | H061 | 89.6° | 126.5° |
| C25 | N05 | C06 | C02 | 174.9° | 165.0° |
| N05 | C25 | C24 | H241 | 145.3° | 10.4° |
| N05 | C25 | C24 | H242 | 23.2° | 131.7° |
| C25 | N05 | C04 | H042 | 46.6° | 45.0° |
| C25 | N05 | C04 | H041 | 74.7° | 75.7° |
| C25 | N05 | C06 | H061 | 54.6° | 73.1° |
| C06 | N05 | C25 | O26 | 1.4° | 19.1° |
| N05 | C06 | C02 | H061 | 121.1° | 122.3° |
| N05 | C06 | C02 | H021 | 91.4° | 127.2° |
| C06 | N05 | C04 | H042 | 132.5° | 133.6° |
| C06 | N05 | C04 | H041 | 106.2° | 105.8° |
| O26 | C25 | C24 | H241 | 42.2° | 170.0° |
| O26 | C25 | C24 | H242 | 164.3° | 48.7° |
| N34 | C35 | C36 | O49 | 151.3° | 11.8° |
| N34 | C35 | C36 | C50 | 126.1° | 120.0° |
| N34 | C35 | C36 | H351 | 119.8° | 119.9° |
| N34 | C35 | C50 | H351 | 114.0° | 120.0° |
| N34 | C35 | C50 | C51 | 62.1° | 60.1° |
| N34 | C35 | C50 | C57 | 176.5° | 59.8° |
| N34 | C35 | C50 | H501 | 56.5° | 179.8° |
| C06 | C02 | C01 | H012 | 60.1° | 65.6° |
| C06 | C02 | C01 | H013 | 179.9° | 174.4° |
| C06 | C02 | C01 | H011 | 59.9° | 54.4° |
| C06 | C02 | C03 | H032 | 149.6° | 118.8° |
| C06 | C02 | C03 | H031 | 89.0° | 119.4° |
| O49 | C36 | C35 | C50 | 82.6° | 108.2° |
| O49 | C36 | C35 | H351 | 31.5° | 131.7° |
| O49 | C36 | N37 | H371 | 178.2° | 174.3° |
| C36 | C35 | C50 | H351 | 114.4° | 120.0° |
| C36 | C35 | C50 | C51 | 166.3° | 59.9° |
| C36 | C35 | C50 | C57 | 44.9° | 179.9° |
| C36 | C35 | C50 | H501 | 75.1° | 60.1° |
| C36 | C35 | N34 | H341 | 106.8° | 25.0° |
| C35 | C36 | N37 | H371 | 0.1° | 5.7° |
| N40 | C41 | C42 | H421 | 180.0° | 179.9° |
| C35 | C50 | C51 | C57 | 123.3° | 120.0° |
| C35 | C50 | C51 | H501 | 117.8° | 120.0° |
| C35 | C50 | C57 | H501 | 119.6° | 120.0° |
| C35 | C50 | C51 | C56 | 109.7° | 120.0° |
| C35 | C50 | C51 | C52 | 68.1° | 59.7° |
| C35 | C50 | C57 | H572 | 180.0° | 57.3° |
| C35 | C50 | C57 | H571 | 60.0° | 177.3° |
| C35 | C50 | C57 | H573 | 60.0° | 62.7° |
| C50 | C35 | N34 | H341 | 20.3° | 95.1° |
| C51 | C50 | C57 | H501 | 119.1° | 120.0° |
| C50 | C51 | C56 | C52 | 177.8° | 179.7° |
| C50 | C51 | C56 | C55 | 179.4° | 179.7° |
| C50 | C51 | C52 | C53 | 179.3° | 180.0° |
| C51 | C50 | C35 | H351 | 51.9° | 179.9° |
| C50 | C51 | C52 | H521 | 0.7° | 0.0° |
| C50 | C51 | C56 | H561 | 0.6° | 0.0° |
| C51 | C50 | C57 | H572 | 58.7° | 62.7° |
| C51 | C50 | C57 | H571 | 178.7° | 57.4° |
| C51 | C50 | C57 | H573 | 61.3° | 177.3° |
| C57 | C50 | C51 | C56 | 127.0° | 120.0° |
| C57 | C50 | C51 | C52 | 55.2° | 60.3° |
| C57 | C50 | C35 | H351 | 69.5° | 60.1° |
| C50 | C57 | H572 | H571 | 120.0° | 120.1° |
| C50 | C57 | H572 | H573 | 120.0° | 120.0° |
| C50 | C57 | H571 | H573 | 120.0° | 119.9° |
| C51 | C56 | C55 | H561 | 180.0° | 179.7° |
| C56 | C51 | C52 | C53 | 1.3° | 0.3° |
| C51 | C56 | C55 | C54 | 1.1° | 0.5° |
| C56 | C51 | C50 | H501 | 8.1° | 0.0° |
| C56 | C51 | C52 | H521 | 178.7° | 179.7° |
| C51 | C56 | C55 | H551 | 178.9° | 179.7° |
| C52 | C51 | C56 | C55 | 1.6° | 0.5° |
| C51 | C52 | C53 | H521 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.6° | 0.0° |
| C52 | C51 | C50 | H501 | 174.1° | 179.7° |
| C51 | C52 | C53 | H531 | 179.4° | 180.0° |
| C52 | C51 | C56 | H561 | 178.4° | 179.8° |
| C56 | C55 | C54 | H551 | 180.0° | 179.7° |
| C56 | C55 | C54 | C53 | 0.3° | 0.3° |
| C56 | C55 | C54 | H541 | 179.7° | 179.7° |
| C52 | C53 | C54 | C55 | 0.0° | 0.0° |
| C52 | C53 | C54 | H531 | 180.0° | 180.0° |
| C52 | C53 | C54 | H541 | 180.0° | 180.0° |
| C55 | C54 | C53 | H541 | 180.0° | 180.0° |
| C55 | C54 | C53 | H531 | 180.0° | 180.0° |
| C54 | C55 | C56 | H561 | 178.9° | 179.8° |
| C54 | C53 | C52 | H521 | 179.4° | 180.0° |
| C53 | C54 | C55 | H551 | 179.7° | 180.0° |
| H102 | C10 | C09 | H091 | 66.0° | 63.6° |
| H102 | C10 | C11 | H112 | 151.8° | 175.0° |
| H102 | C10 | C11 | H111 | 87.6° | 65.1° |
| H101 | C10 | C09 | H091 | 175.0° | 176.4° |
| H101 | C10 | C11 | H112 | 32.8° | 55.0° |
| H101 | C10 | C11 | H111 | 153.4° | 175.0° |
| H132 | C13 | H133 | H131 | 120.0° | 120.0° |
| H171 | C17 | N16 | H161 | 146.2° | 27.6° |
| H203 | C20 | H201 | H202 | 120.0° | 120.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
| H241 | C24 | N23 | H231 | 148.6° | 23.6° |
| H242 | C24 | N23 | H231 | 26.4° | 145.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H012 | C01 | C02 | H021 | 58.8° | 55.9° |
| H013 | C01 | C02 | H021 | 61.2° | 64.1° |
| H011 | C01 | C02 | H021 | 178.9° | 175.9° |
| H021 | C02 | C03 | H032 | 35.7° | 122.0° |
| H021 | C02 | C03 | H031 | 157.2° | 0.2° |
| H021 | C02 | C06 | H061 | 29.7° | 4.9° |
| H032 | C03 | C04 | H042 | 94.2° | 10.0° |
| H032 | C03 | C04 | H041 | 27.0° | 130.3° |
| H031 | C03 | C04 | H042 | 27.3° | 111.8° |
| H031 | C03 | C04 | H041 | 148.5° | 8.5° |
| H091 | C09 | N08 | H081 | 165.0° | 126.6° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H302 | C30 | H301 | H303 | 120.0° | 120.1° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H351 | C35 | C50 | H501 | 170.4° | 59.9° |
| H351 | C35 | N34 | H341 | 133.6° | 144.9° |
| H381 | C38 | C44 | H442 | 153.3° | 65.0° |
| H381 | C38 | C44 | H441 | 85.8° | 175.0° |
| H381 | C38 | N37 | H371 | 169.6° | 145.0° |
| H411 | C41 | C42 | H421 | 0.0° | 0.0° |
| H473 | C47 | H471 | H472 | 119.9° | 119.9° |
| H501 | C50 | C57 | H572 | 60.4° | 177.3° |
| H501 | C50 | C57 | H571 | 59.6° | 62.6° |
| H501 | C50 | C57 | H573 | 179.6° | 57.3° |
| H521 | C52 | C53 | H531 | 0.6° | 0.0° |
| H531 | C53 | C54 | H541 | 0.1° | 0.0° |
| H541 | C54 | C55 | H551 | 0.3° | 0.0° |
| H551 | C55 | C56 | H561 | 1.1° | 0.0° |
| H572 | C57 | H571 | H573 | 120.0° | 120.0° |
