ON4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.52Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C19 | C17 | sing | 1.54Å | 1.54Å | |
| C52 | C47 | sing | 1.52Å | 1.52Å | |
| C52 | C09 | sing | 1.54Å | 1.54Å | |
| C17 | O15 | sing | 1.41Å | 1.41Å | |
| C17 | C20 | sing | 1.54Å | 1.54Å | |
| C36 | C29 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | sing | 1.41Å | 1.41Å | |
| N28 | C29 | doub | 1.44Å | 1.44Å | Aromatic |
| N28 | C27 | sing | 1.46Å | 1.46Å | Aromatic |
| C47 | C09 | sing | 1.55Å | 1.55Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.45Å | 1.45Å | |
| C09 | C37 | sing | 1.51Å | 1.51Å | |
| C29 | C24 | sing | 1.53Å | 1.53Å | Aromatic |
| N08 | C06 | sing | 1.44Å | 1.44Å | |
| C48 | C49 | doub | 1.35Å | 1.35Å | |
| O39 | C37 | doub | 1.19Å | 1.19Å | |
| C33 | C27 | doub | 1.54Å | 1.54Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.51Å | Aromatic |
| O12 | C10 | doub | 1.19Å | 1.19Å | |
| C14 | N13 | sing | 1.44Å | 1.44Å | |
| C14 | O16 | doub | 1.20Å | 1.20Å | |
| C37 | N38 | sing | 1.44Å | 1.44Å | |
| C27 | C26 | sing | 1.50Å | 1.50Å | Aromatic |
| N13 | C11 | sing | 1.42Å | 1.42Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| O42 | S40 | doub | 1.46Å | 1.46Å | |
| C24 | O23 | sing | 1.40Å | 1.40Å | |
| C24 | N25 | doub | 1.44Å | 1.44Å | Aromatic |
| C32 | C31 | doub | 1.52Å | 1.52Å | Aromatic |
| C10 | N05 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C06 | C01 | sing | 1.60Å | 1.60Å | |
| C06 | O07 | doub | 1.20Å | 1.20Å | |
| C01 | N05 | sing | 1.61Å | 1.61Å | |
| C01 | C02 | sing | 1.25Å | 1.25Å | |
| N38 | S40 | sing | 1.66Å | 1.66Å | |
| O23 | C03 | sing | 1.45Å | 1.45Å | |
| C50 | C51 | sing | 1.54Å | 1.54Å | |
| N05 | C04 | sing | 1.55Å | 1.55Å | |
| C26 | N25 | sing | 1.45Å | 1.45Å | Aromatic |
| C26 | C30 | doub | 1.53Å | 1.53Å | Aromatic |
| C11 | C21 | sing | 1.55Å | 1.55Å | |
| S40 | O41 | doub | 1.47Å | 1.47Å | |
| S40 | C43 | sing | 1.81Å | 1.81Å | |
| C02 | C03 | sing | 1.64Å | 1.64Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | Aromatic |
| C31 | O34 | sing | 1.39Å | 1.39Å | |
| C03 | C04 | sing | 1.30Å | 1.30Å | |
| C44 | C43 | sing | 1.52Å | 1.52Å | |
| C44 | C45 | sing | 1.54Å | 1.54Å | |
| C51 | C53 | sing | 1.55Å | 1.55Å | |
| C43 | C45 | sing | 1.52Å | 1.52Å | |
| C43 | C46 | sing | 1.55Å | 1.55Å | |
| O34 | C35 | sing | 1.41Å | 1.41Å | |
| C22 | C53 | sing | 1.56Å | 1.56Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C02 | H021 | sing | 1.10Å | 1.10Å | |
| C02 | H022 | sing | 1.10Å | 1.10Å | |
| C03 | H031 | sing | 1.10Å | 1.10Å | |
| C04 | H042 | sing | 1.10Å | 1.10Å | |
| C04 | H041 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å | |
| C36 | H363 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C46 | H463 | sing | 1.10Å | 1.10Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H502 | sing | 1.10Å | 1.10Å | |
| C50 | H501 | sing | 1.10Å | 1.10Å | |
| C51 | H512 | sing | 1.10Å | 1.10Å | |
| C51 | H511 | sing | 1.10Å | 1.10Å | |
| C52 | H521 | sing | 1.10Å | 1.10Å | |
| C52 | H522 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| N08 | H081 | sing | 1.00Å | 1.00Å | |
| N13 | H131 | sing | 1.00Å | 1.00Å | |
| N38 | H381 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 60.4° | 60.4° |
| C18 | C19 | C17 | 60.3° | 60.3° |
| C19 | C18 | H182 | 119.9° | 119.9° |
| C19 | C18 | H181 | 119.9° | 119.9° |
| C18 | C19 | H191 | 119.9° | 119.9° |
| C18 | C19 | H192 | 119.9° | 119.9° |
| C18 | C17 | C19 | 59.3° | 59.3° |
| C18 | C17 | O15 | 116.8° | 116.8° |
| C18 | C17 | C20 | 117.2° | 117.2° |
| C17 | C18 | H182 | 119.9° | 119.9° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C19 | C17 | O15 | 115.8° | 115.8° |
| C19 | C17 | C20 | 116.5° | 116.5° |
| C17 | C19 | H191 | 120.0° | 120.0° |
| C17 | C19 | H192 | 119.9° | 119.9° |
| C47 | C52 | C09 | 60.7° | 60.7° |
| C52 | C47 | C09 | 60.1° | 60.1° |
| C52 | C47 | C48 | 120.0° | 120.0° |
| C52 | C47 | H471 | 110.3° | 110.3° |
| C47 | C52 | H521 | 119.9° | 119.9° |
| C47 | C52 | H522 | 119.9° | 119.9° |
| C52 | C09 | C47 | 59.2° | 59.2° |
| C52 | C09 | N08 | 123.7° | 123.7° |
| C52 | C09 | C37 | 108.5° | 108.5° |
| C09 | C52 | H521 | 119.9° | 119.9° |
| C09 | C52 | H522 | 119.9° | 119.9° |
| O15 | C17 | C20 | 118.0° | 118.0° |
| C17 | O15 | C14 | 115.3° | 115.3° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H201 | 109.4° | 109.4° |
| C17 | C20 | H203 | 109.4° | 109.4° |
| C36 | C29 | N28 | 119.9° | 119.9° |
| C36 | C29 | C24 | 119.9° | 119.9° |
| C29 | C36 | H363 | 109.5° | 109.5° |
| C29 | C36 | H361 | 109.5° | 109.5° |
| C29 | C36 | H362 | 109.5° | 109.5° |
| O15 | C14 | N13 | 113.2° | 113.2° |
| O15 | C14 | O16 | 124.6° | 124.6° |
| C29 | N28 | C27 | 117.7° | 117.7° |
| N28 | C29 | C24 | 120.3° | 120.3° |
| N28 | C27 | C33 | 117.1° | 117.1° |
| N28 | C27 | C26 | 121.2° | 121.2° |
| C09 | C47 | C48 | 135.5° | 135.5° |
| C47 | C09 | N08 | 123.1° | 123.1° |
| C47 | C09 | C37 | 109.0° | 109.0° |
| C09 | C47 | H471 | 110.0° | 110.0° |
| C47 | C48 | C49 | 121.5° | 121.5° |
| C48 | C47 | H471 | 110.3° | 110.3° |
| C47 | C48 | H481 | 119.2° | 119.2° |
| N08 | C09 | C37 | 119.0° | 119.0° |
| C09 | N08 | C06 | 120.3° | 120.3° |
| C09 | N08 | H081 | 119.8° | 119.8° |
| C09 | C37 | O39 | 124.4° | 124.4° |
| C09 | C37 | N38 | 114.5° | 114.5° |
| C29 | C24 | O23 | 117.6° | 117.6° |
| C29 | C24 | N25 | 122.5° | 122.5° |
| N08 | C06 | C01 | 115.2° | 115.2° |
| N08 | C06 | O07 | 119.8° | 119.8° |
| C06 | N08 | H081 | 119.9° | 119.9° |
| C48 | C49 | C50 | 123.3° | 123.3° |
| C49 | C48 | H481 | 119.3° | 119.3° |
| C48 | C49 | H491 | 118.3° | 118.3° |
| O39 | C37 | N38 | 121.1° | 121.1° |
| C27 | C33 | C32 | 118.2° | 118.2° |
| C33 | C27 | C26 | 121.7° | 121.7° |
| C27 | C33 | H331 | 120.9° | 120.9° |
| C33 | C32 | C31 | 120.3° | 120.3° |
| C33 | C32 | H321 | 119.8° | 119.8° |
| C32 | C33 | H331 | 120.9° | 120.9° |
| O12 | C10 | N05 | 120.5° | 120.5° |
| O12 | C10 | C11 | 121.0° | 121.0° |
| N13 | C14 | O16 | 122.2° | 122.2° |
| C14 | N13 | C11 | 121.6° | 121.6° |
| C14 | N13 | H131 | 119.2° | 119.2° |
| C37 | N38 | S40 | 115.5° | 115.5° |
| C37 | N38 | H381 | 122.3° | 122.3° |
| C27 | C26 | N25 | 122.2° | 122.2° |
| C27 | C26 | C30 | 120.4° | 120.4° |
| N13 | C11 | C10 | 112.1° | 112.1° |
| N13 | C11 | C21 | 105.5° | 105.5° |
| N13 | C11 | H111 | 111.2° | 111.2° |
| C11 | N13 | H131 | 119.2° | 119.2° |
| C49 | C50 | C51 | 109.2° | 109.2° |
| C50 | C49 | H491 | 118.3° | 118.4° |
| C49 | C50 | H502 | 109.5° | 109.5° |
| C49 | C50 | H501 | 109.6° | 109.6° |
| O42 | S40 | N38 | 113.6° | 113.6° |
| O42 | S40 | O41 | 108.6° | 108.6° |
| O42 | S40 | C43 | 114.7° | 114.7° |
| O23 | C24 | N25 | 119.9° | 119.9° |
| C24 | O23 | C03 | 114.8° | 114.8° |
| C24 | N25 | C26 | 116.1° | 116.1° |
| C32 | C31 | C30 | 121.7° | 121.7° |
| C32 | C31 | O34 | 119.2° | 119.2° |
| C31 | C32 | H321 | 119.8° | 119.8° |
| N05 | C10 | C11 | 118.5° | 118.5° |
| C10 | N05 | C01 | 127.7° | 127.7° |
| C10 | N05 | C04 | 128.2° | 128.2° |
| C10 | C11 | C21 | 108.7° | 108.7° |
| C10 | C11 | H111 | 109.9° | 109.9° |
| C01 | C06 | O07 | 125.0° | 125.0° |
| C06 | C01 | N05 | 96.0° | 96.0° |
| C06 | C01 | C02 | 120.6° | 120.6° |
| C06 | C01 | H011 | 109.3° | 109.4° |
| N05 | C01 | C02 | 104.0° | 104.0° |
| C01 | N05 | C04 | 104.0° | 104.0° |
| N05 | C01 | H011 | 109.2° | 109.2° |
| C01 | C02 | C03 | 101.5° | 101.5° |
| C02 | C01 | H011 | 115.2° | 115.1° |
| C01 | C02 | H021 | 111.4° | 111.4° |
| C01 | C02 | H022 | 111.4° | 111.4° |
| N38 | S40 | O41 | 108.3° | 108.3° |
| N38 | S40 | C43 | 104.8° | 104.8° |
| S40 | N38 | H381 | 122.2° | 122.2° |
| O23 | C03 | C02 | 107.6° | 107.6° |
| O23 | C03 | C04 | 107.6° | 107.6° |
| O23 | C03 | H031 | 112.4° | 112.4° |
| C50 | C51 | C53 | 111.1° | 111.1° |
| C51 | C50 | H502 | 109.6° | 109.6° |
| C51 | C50 | H501 | 109.6° | 109.6° |
| C50 | C51 | H512 | 109.0° | 109.0° |
| C50 | C51 | H511 | 109.1° | 109.1° |
| N05 | C04 | C03 | 99.5° | 99.5° |
| N05 | C04 | H042 | 111.9° | 111.9° |
| N05 | C04 | H041 | 111.9° | 111.9° |
| N25 | C26 | C30 | 117.4° | 117.4° |
| C26 | C30 | C31 | 117.7° | 117.7° |
| C26 | C30 | H301 | 121.2° | 121.2° |
| C11 | C21 | C22 | 111.5° | 111.5° |
| C11 | C21 | H211 | 108.9° | 108.9° |
| C11 | C21 | H212 | 109.0° | 108.9° |
| C21 | C11 | H111 | 109.4° | 109.4° |
| O41 | S40 | C43 | 106.4° | 106.4° |
| S40 | C43 | C44 | 114.8° | 114.8° |
| S40 | C43 | C45 | 113.6° | 113.6° |
| S40 | C43 | C46 | 119.0° | 119.0° |
| C02 | C03 | C04 | 104.0° | 104.0° |
| C03 | C02 | H021 | 111.5° | 111.5° |
| C03 | C02 | H022 | 111.4° | 111.4° |
| C02 | C03 | H031 | 109.6° | 109.6° |
| C21 | C22 | C53 | 107.9° | 107.9° |
| C22 | C21 | H211 | 109.0° | 109.0° |
| C22 | C21 | H212 | 109.0° | 109.0° |
| C21 | C22 | H222 | 109.8° | 109.9° |
| C21 | C22 | H221 | 109.9° | 109.9° |
| C30 | C31 | O34 | 119.1° | 119.1° |
| C31 | C30 | H301 | 121.2° | 121.2° |
| C31 | O34 | C35 | 114.3° | 114.3° |
| C04 | C03 | H031 | 115.1° | 115.1° |
| C03 | C04 | H042 | 111.9° | 111.9° |
| C03 | C04 | H041 | 111.9° | 111.9° |
| C43 | C44 | C45 | 59.7° | 59.7° |
| C44 | C43 | C45 | 60.7° | 60.7° |
| C44 | C43 | C46 | 119.0° | 119.0° |
| C43 | C44 | H442 | 120.1° | 120.1° |
| C43 | C44 | H441 | 120.0° | 120.0° |
| C44 | C45 | C43 | 59.6° | 59.6° |
| C45 | C44 | H442 | 120.0° | 120.0° |
| C45 | C44 | H441 | 120.0° | 120.0° |
| C44 | C45 | H451 | 120.1° | 120.1° |
| C44 | C45 | H452 | 120.0° | 120.1° |
| C51 | C53 | C22 | 110.5° | 110.5° |
| C53 | C51 | H512 | 109.1° | 109.1° |
| C53 | C51 | H511 | 109.1° | 109.1° |
| C51 | C53 | H531 | 109.2° | 109.2° |
| C51 | C53 | H532 | 109.2° | 109.2° |
| C45 | C43 | C46 | 116.3° | 116.3° |
| C43 | C45 | H451 | 120.1° | 120.1° |
| C43 | C45 | H452 | 120.0° | 120.0° |
| C43 | C46 | H461 | 109.5° | 109.5° |
| C43 | C46 | H462 | 109.5° | 109.5° |
| C43 | C46 | H463 | 109.5° | 109.5° |
| O34 | C35 | H352 | 109.5° | 109.5° |
| O34 | C35 | H351 | 109.5° | 109.5° |
| O34 | C35 | H353 | 109.5° | 109.5° |
| C53 | C22 | H222 | 109.9° | 109.8° |
| C53 | C22 | H221 | 109.9° | 109.9° |
| C22 | C53 | H531 | 109.2° | 109.2° |
| C22 | C53 | H532 | 109.2° | 109.2° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.4° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.4° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.4° | 109.4° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H182 | 109.6° | 109.6° |
| C19 | C18 | C17 | H181 | 109.6° | 109.6° |
| C18 | C19 | C17 | H191 | 109.5° | 109.5° |
| C18 | C19 | C17 | H192 | 109.5° | 109.5° |
| C19 | C18 | C17 | O15 | 105.5° | 105.5° |
| C19 | C18 | C17 | C20 | 106.2° | 106.2° |
| C19 | C18 | H182 | H181 | 144.5° | 144.5° |
| C18 | C19 | H191 | H192 | 144.6° | 144.6° |
| C18 | C17 | O15 | C20 | 148.0° | 148.0° |
| C18 | C17 | O15 | C14 | 119.2° | 119.2° |
| C18 | C17 | C20 | H202 | 180.0° | 180.0° |
| C18 | C17 | C20 | H201 | 60.0° | 60.0° |
| C18 | C17 | C20 | H203 | 60.0° | 60.0° |
| C17 | C18 | H182 | H181 | 144.5° | 144.5° |
| C19 | C17 | O15 | C20 | 145.0° | 145.0° |
| C19 | C17 | O15 | C14 | 52.2° | 52.2° |
| C19 | C17 | C20 | H202 | 112.7° | 112.7° |
| C19 | C17 | C20 | H201 | 7.4° | 7.4° |
| C19 | C17 | C20 | H203 | 127.3° | 127.3° |
| C17 | C19 | H191 | H192 | 144.6° | 144.6° |
| C47 | C52 | C09 | H521 | 109.7° | 109.7° |
| C47 | C52 | C09 | H522 | 109.7° | 109.7° |
| C52 | C47 | C09 | C48 | 103.8° | 103.8° |
| C52 | C47 | C09 | H471 | 102.6° | 102.6° |
| C52 | C47 | C48 | H471 | 129.8° | 129.8° |
| C47 | C52 | C09 | N08 | 111.4° | 111.4° |
| C47 | C52 | C09 | C37 | 101.5° | 101.5° |
| C52 | C47 | C48 | C49 | 162.8° | 162.8° |
| C52 | C47 | C48 | H481 | 17.2° | 17.2° |
| C47 | C52 | H521 | H522 | 144.4° | 144.4° |
| C52 | C09 | N08 | C37 | 143.9° | 143.9° |
| C52 | C09 | N08 | C06 | 133.4° | 133.4° |
| C52 | C09 | C37 | O39 | 20.5° | 20.5° |
| C52 | C09 | C37 | N38 | 158.0° | 158.0° |
| C09 | C52 | H521 | H522 | 144.3° | 144.3° |
| C52 | C09 | N08 | H081 | 46.7° | 46.7° |
| C17 | O15 | C14 | N13 | 179.2° | 179.2° |
| C17 | O15 | C14 | O16 | 0.6° | 0.6° |
| O15 | C17 | C20 | H202 | 32.1° | 32.1° |
| O15 | C17 | C20 | H201 | 152.1° | 152.1° |
| O15 | C17 | C20 | H203 | 87.9° | 87.9° |
| O15 | C17 | C18 | H182 | 144.9° | 144.9° |
| O15 | C17 | C18 | H181 | 4.0° | 4.0° |
| O15 | C17 | C19 | H191 | 2.4° | 2.4° |
| O15 | C17 | C19 | H192 | 143.3° | 143.3° |
| C20 | C17 | O15 | C14 | 92.7° | 92.7° |
| C17 | C20 | H202 | H201 | 120.0° | 120.0° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.0° |
| C20 | C17 | C18 | H182 | 3.4° | 3.4° |
| C20 | C17 | C18 | H181 | 144.3° | 144.3° |
| C20 | C17 | C19 | H191 | 143.2° | 143.2° |
| C20 | C17 | C19 | H192 | 2.2° | 2.2° |
| C36 | C29 | N28 | C24 | 178.7° | 178.7° |
| C36 | C29 | N28 | C27 | 179.9° | 179.9° |
| C36 | C29 | C24 | O23 | 0.6° | 0.6° |
| C36 | C29 | C24 | N25 | 179.8° | 179.8° |
| C29 | C36 | H363 | H361 | 120.0° | 120.0° |
| C29 | C36 | H363 | H362 | 120.0° | 120.0° |
| C29 | C36 | H361 | H362 | 120.0° | 120.0° |
| O15 | C14 | N13 | O16 | 178.6° | 178.6° |
| O15 | C14 | N13 | C11 | 173.6° | 173.6° |
| O15 | C14 | N13 | H131 | 6.4° | 6.4° |
| C29 | N28 | C27 | C33 | 179.8° | 179.8° |
| C29 | N28 | C27 | C26 | 0.8° | 0.8° |
| N28 | C29 | C24 | O23 | 179.3° | 179.3° |
| N28 | C29 | C24 | N25 | 1.1° | 1.1° |
| N28 | C29 | C36 | H363 | 0.0° | 0.0° |
| N28 | C29 | C36 | H361 | 120.0° | 120.0° |
| N28 | C29 | C36 | H362 | 120.0° | 120.0° |
| C27 | N28 | C29 | C24 | 1.2° | 1.2° |
| N28 | C27 | C33 | C26 | 179.3° | 179.3° |
| N28 | C27 | C33 | C32 | 179.6° | 179.6° |
| N28 | C27 | C26 | N25 | 0.3° | 0.3° |
| N28 | C27 | C26 | C30 | 179.5° | 179.5° |
| N28 | C27 | C33 | H331 | 0.4° | 0.4° |
| C09 | C47 | C48 | H471 | 153.6° | 153.6° |
| C47 | C09 | N08 | C37 | 143.6° | 143.6° |
| C47 | C09 | N08 | C06 | 60.9° | 60.9° |
| C09 | C47 | C48 | C49 | 120.7° | 120.7° |
| C47 | C09 | C37 | O39 | 42.3° | 42.3° |
| C47 | C09 | C37 | N38 | 139.1° | 139.1° |
| C09 | C47 | C48 | H481 | 59.3° | 59.3° |
| C47 | C09 | N08 | H081 | 119.1° | 119.1° |
| C48 | C47 | C09 | N08 | 143.7° | 143.7° |
| C48 | C47 | C09 | C37 | 3.0° | 3.0° |
| C47 | C48 | C49 | H481 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 1.6° | 1.6° |
| C47 | C48 | C49 | H491 | 178.4° | 178.4° |
| C48 | C47 | C52 | H521 | 18.5° | 18.5° |
| C48 | C47 | C52 | H522 | 122.2° | 122.2° |
| C09 | N08 | C06 | H081 | 180.0° | 180.0° |
| N08 | C09 | C37 | O39 | 169.4° | 169.4° |
| N08 | C09 | C37 | N38 | 9.2° | 9.2° |
| C09 | N08 | C06 | C01 | 171.7° | 171.7° |
| C09 | N08 | C06 | O07 | 8.2° | 8.2° |
| N08 | C09 | C47 | H471 | 10.0° | 10.0° |
| N08 | C09 | C52 | H521 | 138.9° | 138.9° |
| N08 | C09 | C52 | H522 | 1.7° | 1.7° |
| C37 | C09 | N08 | C06 | 82.8° | 82.8° |
| C09 | C37 | O39 | N38 | 178.5° | 178.5° |
| C09 | C37 | N38 | S40 | 179.6° | 179.6° |
| C37 | C09 | C47 | H471 | 156.7° | 156.7° |
| C37 | C09 | C52 | H521 | 8.1° | 8.1° |
| C37 | C09 | C52 | H522 | 148.8° | 148.8° |
| C37 | C09 | N08 | H081 | 97.2° | 97.2° |
| C09 | C37 | N38 | H381 | 0.4° | 0.4° |
| C29 | C24 | O23 | N25 | 179.6° | 179.6° |
| C29 | C24 | O23 | C03 | 175.0° | 175.0° |
| C29 | C24 | N25 | C26 | 0.6° | 0.6° |
| C24 | C29 | C36 | H363 | 178.7° | 178.7° |
| C24 | C29 | C36 | H361 | 58.7° | 58.7° |
| C24 | C29 | C36 | H362 | 61.3° | 61.3° |
| N08 | C06 | C01 | O07 | 179.9° | 179.9° |
| N08 | C06 | C01 | N05 | 127.8° | 127.8° |
| N08 | C06 | C01 | C02 | 122.0° | 122.0° |
| N08 | C06 | C01 | H011 | 15.0° | 15.0° |
| C48 | C49 | C50 | H491 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 129.3° | 129.3° |
| C49 | C48 | C47 | H471 | 32.9° | 32.9° |
| C48 | C49 | C50 | H502 | 9.3° | 9.3° |
| C48 | C49 | C50 | H501 | 110.7° | 110.7° |
| O39 | C37 | N38 | S40 | 1.0° | 1.0° |
| O39 | C37 | N38 | H381 | 179.0° | 179.0° |
| C27 | C33 | C32 | H331 | 180.0° | 180.0° |
| C27 | C33 | C32 | C31 | 0.3° | 0.3° |
| C33 | C27 | C26 | N25 | 179.6° | 179.6° |
| C33 | C27 | C26 | C30 | 0.1° | 0.1° |
| C27 | C33 | C32 | H321 | 179.7° | 179.7° |
| C32 | C33 | C27 | C26 | 0.2° | 0.2° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.3° |
| C33 | C32 | C31 | O34 | 179.7° | 179.7° |
| O12 | C10 | C11 | N13 | 59.2° | 59.2° |
| O12 | C10 | N05 | C11 | 178.9° | 178.9° |
| O12 | C10 | N05 | C01 | 5.4° | 5.4° |
| O12 | C10 | N05 | C04 | 179.5° | 179.5° |
| O12 | C10 | C11 | C21 | 57.0° | 57.0° |
| O12 | C10 | C11 | H111 | 176.6° | 176.6° |
| C14 | N13 | C11 | H131 | 180.0° | 180.0° |
| C14 | N13 | C11 | C10 | 76.0° | 76.0° |
| C14 | N13 | C11 | C21 | 165.9° | 165.9° |
| C14 | N13 | C11 | H111 | 47.4° | 47.4° |
| O16 | C14 | N13 | C11 | 7.8° | 7.8° |
| O16 | C14 | N13 | H131 | 172.2° | 172.2° |
| C37 | N38 | S40 | O42 | 58.0° | 58.0° |
| C37 | N38 | S40 | H381 | 180.0° | 180.0° |
| C37 | N38 | S40 | O41 | 62.8° | 62.8° |
| C37 | N38 | S40 | C43 | 176.1° | 176.1° |
| C27 | C26 | N25 | C24 | 0.2° | 0.2° |
| C27 | C26 | N25 | C30 | 179.8° | 179.8° |
| C27 | C26 | C30 | C31 | 0.1° | 0.1° |
| C27 | C26 | C30 | H301 | 179.9° | 179.9° |
| C26 | C27 | C33 | H331 | 179.8° | 179.8° |
| N13 | C11 | C10 | N05 | 119.7° | 119.7° |
| N13 | C11 | C10 | C21 | 116.2° | 116.2° |
| N13 | C11 | C10 | H111 | 124.2° | 124.2° |
| N13 | C11 | C21 | H111 | 119.7° | 119.7° |
| N13 | C11 | C21 | C22 | 177.4° | 177.4° |
| N13 | C11 | C21 | H211 | 57.1° | 57.1° |
| N13 | C11 | C21 | H212 | 62.2° | 62.2° |
| C49 | C50 | C51 | H502 | 119.9° | 119.9° |
| C49 | C50 | C51 | H501 | 120.0° | 120.0° |
| C49 | C50 | C51 | C53 | 170.4° | 170.4° |
| C50 | C49 | C48 | H481 | 178.4° | 178.4° |
| C49 | C50 | H502 | H501 | 120.1° | 120.1° |
| C49 | C50 | C51 | H512 | 50.2° | 50.2° |
| C49 | C50 | C51 | H511 | 69.3° | 69.3° |
| O42 | S40 | N38 | O41 | 120.8° | 120.8° |
| O42 | S40 | N38 | C43 | 125.9° | 125.9° |
| O42 | S40 | O41 | C43 | 123.9° | 123.9° |
| O42 | S40 | C43 | C44 | 30.7° | 30.7° |
| O42 | S40 | C43 | C45 | 36.6° | 36.6° |
| O42 | S40 | C43 | C46 | 179.4° | 179.4° |
| O42 | S40 | N38 | H381 | 122.0° | 122.0° |
| O23 | C24 | N25 | C26 | 179.8° | 179.8° |
| C24 | O23 | C03 | C02 | 85.8° | 85.8° |
| C24 | O23 | C03 | C04 | 162.7° | 162.7° |
| C24 | O23 | C03 | H031 | 35.0° | 35.0° |
| N25 | C24 | O23 | C03 | 5.4° | 5.4° |
| C24 | N25 | C26 | C30 | 179.6° | 179.6° |
| C32 | C31 | C30 | C26 | 0.2° | 0.2° |
| C32 | C31 | C30 | O34 | 179.4° | 179.4° |
| C32 | C31 | O34 | C35 | 178.3° | 178.3° |
| C32 | C31 | C30 | H301 | 179.8° | 179.8° |
| C31 | C32 | C33 | H331 | 179.7° | 179.7° |
| C10 | N05 | C01 | C06 | 40.6° | 40.6° |
| C10 | N05 | C01 | C04 | 176.0° | 176.0° |
| C10 | N05 | C01 | C02 | 164.3° | 164.3° |
| N05 | C10 | C11 | C21 | 124.1° | 124.1° |
| C10 | N05 | C04 | C03 | 160.2° | 160.2° |
| C10 | N05 | C01 | H011 | 72.2° | 72.3° |
| C10 | N05 | C04 | H042 | 41.8° | 41.8° |
| C10 | N05 | C04 | H041 | 81.5° | 81.5° |
| N05 | C10 | C11 | H111 | 4.5° | 4.5° |
| C11 | C10 | N05 | C01 | 175.7° | 175.7° |
| C11 | C10 | N05 | C04 | 0.6° | 0.6° |
| C10 | C11 | C21 | H111 | 119.9° | 119.9° |
| C10 | C11 | C21 | C22 | 62.2° | 62.2° |
| C10 | C11 | C21 | H211 | 177.5° | 177.5° |
| C10 | C11 | C21 | H212 | 58.1° | 58.1° |
| C10 | C11 | N13 | H131 | 104.0° | 104.0° |
| C06 | C01 | N05 | C02 | 123.6° | 123.6° |
| C06 | C01 | N05 | H011 | 112.9° | 112.9° |
| C06 | C01 | C02 | H011 | 134.6° | 134.7° |
| C06 | C01 | N05 | C04 | 135.4° | 135.4° |
| C06 | C01 | C02 | C03 | 140.5° | 140.5° |
| C06 | C01 | C02 | H021 | 21.7° | 21.7° |
| C06 | C01 | C02 | H022 | 100.8° | 100.8° |
| C01 | C06 | N08 | H081 | 8.3° | 8.3° |
| O07 | C06 | C01 | N05 | 52.1° | 52.1° |
| O07 | C06 | C01 | C02 | 58.1° | 58.1° |
| O07 | C06 | C01 | H011 | 164.9° | 165.0° |
| O07 | C06 | N08 | H081 | 171.8° | 171.8° |
| N05 | C01 | C02 | H011 | 119.5° | 119.5° |
| N05 | C01 | C02 | C03 | 34.6° | 34.6° |
| C01 | N05 | C04 | C03 | 23.8° | 23.8° |
| N05 | C01 | C02 | H021 | 84.2° | 84.2° |
| N05 | C01 | C02 | H022 | 153.3° | 153.3° |
| C01 | N05 | C04 | H042 | 142.2° | 142.2° |
| C01 | N05 | C04 | H041 | 94.5° | 94.5° |
| C01 | C02 | C03 | O23 | 57.8° | 57.8° |
| C02 | C01 | N05 | C04 | 11.7° | 11.7° |
| C01 | C02 | C03 | H021 | 118.7° | 118.7° |
| C01 | C02 | C03 | H022 | 118.7° | 118.7° |
| C01 | C02 | C03 | C04 | 56.1° | 56.1° |
| C01 | C02 | H021 | H022 | 123.7° | 123.7° |
| C01 | C02 | C03 | H031 | 179.7° | 179.7° |
| N38 | S40 | O41 | C43 | 112.2° | 112.2° |
| N38 | S40 | C43 | C44 | 94.6° | 94.6° |
| N38 | S40 | C43 | C45 | 161.9° | 161.9° |
| N38 | S40 | C43 | C46 | 55.3° | 55.3° |
| O23 | C03 | C04 | N05 | 70.6° | 70.6° |
| O23 | C03 | C02 | C04 | 113.9° | 113.9° |
| O23 | C03 | C02 | H031 | 122.5° | 122.5° |
| O23 | C03 | C04 | H031 | 126.1° | 126.1° |
| O23 | C03 | C02 | H021 | 176.5° | 176.5° |
| O23 | C03 | C02 | H022 | 60.9° | 60.9° |
| O23 | C03 | C04 | H042 | 47.8° | 47.8° |
| O23 | C03 | C04 | H041 | 171.1° | 171.1° |
| C50 | C51 | C53 | H512 | 120.2° | 120.2° |
| C50 | C51 | C53 | H511 | 120.2° | 120.2° |
| C50 | C51 | C53 | C22 | 60.5° | 60.5° |
| C51 | C50 | C49 | H491 | 50.7° | 50.7° |
| C51 | C50 | H502 | H501 | 120.1° | 120.1° |
| C50 | C51 | H512 | H511 | 119.3° | 119.3° |
| C50 | C51 | C53 | H531 | 59.7° | 59.7° |
| C50 | C51 | C53 | H532 | 179.4° | 179.4° |
| N05 | C04 | C03 | C02 | 43.3° | 43.3° |
| N05 | C04 | C03 | H042 | 118.4° | 118.4° |
| N05 | C04 | C03 | H041 | 118.3° | 118.3° |
| C04 | N05 | C01 | H011 | 111.8° | 111.7° |
| N05 | C04 | C03 | H031 | 163.3° | 163.3° |
| N05 | C04 | H042 | H041 | 124.7° | 124.7° |
| N25 | C26 | C30 | C31 | 179.7° | 179.7° |
| N25 | C26 | C30 | H301 | 0.3° | 0.3° |
| C26 | C30 | C31 | H301 | 180.0° | 180.0° |
| C26 | C30 | C31 | O34 | 179.6° | 179.6° |
| C11 | C21 | C22 | H211 | 120.3° | 120.3° |
| C11 | C21 | C22 | H212 | 120.3° | 120.3° |
| C11 | C21 | C22 | C53 | 171.1° | 171.1° |
| C11 | C21 | H211 | H212 | 119.1° | 119.0° |
| C11 | C21 | C22 | H222 | 51.3° | 51.3° |
| C11 | C21 | C22 | H221 | 69.1° | 69.1° |
| C21 | C11 | N13 | H131 | 14.1° | 14.1° |
| O41 | S40 | C43 | C44 | 150.7° | 150.7° |
| O41 | S40 | C43 | C45 | 83.4° | 83.4° |
| O41 | S40 | C43 | C46 | 59.4° | 59.4° |
| O41 | S40 | N38 | H381 | 117.2° | 117.2° |
| S40 | C43 | C44 | C45 | 104.3° | 104.3° |
| S40 | C43 | C44 | C46 | 150.0° | 150.0° |
| S40 | C43 | C45 | C46 | 143.8° | 143.8° |
| S40 | C43 | C44 | H442 | 5.0° | 5.0° |
| S40 | C43 | C44 | H441 | 146.3° | 146.3° |
| S40 | C43 | C45 | H451 | 3.2° | 3.2° |
| S40 | C43 | C45 | H452 | 144.5° | 144.4° |
| S40 | C43 | C46 | H461 | 180.0° | 180.0° |
| S40 | C43 | C46 | H462 | 60.0° | 60.0° |
| S40 | C43 | C46 | H463 | 60.0° | 60.0° |
| C43 | S40 | N38 | H381 | 3.9° | 3.9° |
| C02 | C03 | C04 | H031 | 120.0° | 120.0° |
| C03 | C02 | C01 | H011 | 84.9° | 84.9° |
| C03 | C02 | H021 | H022 | 123.7° | 123.7° |
| C02 | C03 | C04 | H042 | 161.7° | 161.7° |
| C02 | C03 | C04 | H041 | 75.0° | 75.0° |
| C21 | C22 | C53 | C51 | 103.6° | 103.6° |
| C21 | C22 | C53 | H222 | 119.8° | 119.8° |
| C21 | C22 | C53 | H221 | 119.8° | 119.8° |
| C22 | C21 | H211 | H212 | 119.1° | 119.1° |
| C21 | C22 | H222 | H221 | 120.7° | 120.7° |
| C22 | C21 | C11 | H111 | 57.7° | 57.7° |
| C21 | C22 | C53 | H531 | 16.6° | 16.6° |
| C21 | C22 | C53 | H532 | 136.3° | 136.3° |
| C30 | C31 | O34 | C35 | 1.1° | 1.1° |
| C30 | C31 | C32 | H321 | 179.8° | 179.8° |
| O34 | C31 | C30 | H301 | 0.4° | 0.4° |
| O34 | C31 | C32 | H321 | 0.3° | 0.3° |
| C31 | O34 | C35 | H352 | 180.0° | 180.0° |
| C31 | O34 | C35 | H351 | 60.0° | 60.0° |
| C31 | O34 | C35 | H353 | 60.0° | 60.0° |
| C04 | C03 | C02 | H021 | 62.6° | 62.6° |
| C04 | C03 | C02 | H022 | 174.8° | 174.8° |
| C03 | C04 | H042 | H041 | 124.7° | 124.7° |
| C43 | C44 | C45 | H442 | 109.4° | 109.4° |
| C43 | C44 | C45 | H441 | 109.4° | 109.4° |
| C44 | C43 | C45 | C46 | 110.0° | 110.0° |
| C43 | C44 | H442 | H441 | 144.9° | 144.9° |
| C43 | C44 | C45 | H451 | 109.4° | 109.4° |
| C43 | C44 | C45 | H452 | 109.3° | 109.3° |
| C44 | C43 | C46 | H461 | 31.3° | 31.3° |
| C44 | C43 | C46 | H462 | 88.7° | 88.7° |
| C44 | C43 | C46 | H463 | 151.3° | 151.3° |
| C45 | C44 | H442 | H441 | 144.9° | 144.9° |
| C44 | C45 | H451 | H452 | 144.9° | 145.0° |
| C51 | C53 | C22 | H531 | 120.2° | 120.2° |
| C51 | C53 | C22 | H532 | 120.1° | 120.1° |
| C51 | C53 | C22 | H222 | 16.2° | 16.2° |
| C51 | C53 | C22 | H221 | 136.7° | 136.7° |
| C53 | C51 | C50 | H502 | 69.6° | 69.6° |
| C53 | C51 | C50 | H501 | 50.5° | 50.5° |
| C53 | C51 | H512 | H511 | 119.3° | 119.3° |
| C51 | C53 | H531 | H532 | 119.6° | 119.6° |
| C43 | C45 | H451 | H452 | 144.9° | 144.9° |
| C45 | C43 | C46 | H461 | 38.2° | 38.2° |
| C45 | C43 | C46 | H462 | 158.2° | 158.2° |
| C45 | C43 | C46 | H463 | 81.8° | 81.8° |
| C46 | C43 | C44 | H442 | 144.9° | 144.9° |
| C46 | C43 | C44 | H441 | 3.7° | 3.7° |
| C46 | C43 | C45 | H451 | 140.6° | 140.6° |
| C46 | C43 | C45 | H452 | 0.6° | 0.6° |
| C43 | C46 | H461 | H462 | 120.0° | 120.0° |
| C43 | C46 | H461 | H463 | 120.0° | 120.0° |
| C43 | C46 | H462 | H463 | 120.0° | 120.0° |
| O34 | C35 | H352 | H351 | 120.0° | 120.0° |
| O34 | C35 | H352 | H353 | 120.0° | 120.0° |
| O34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C53 | C22 | C21 | H211 | 68.6° | 68.6° |
| C53 | C22 | C21 | H212 | 50.7° | 50.8° |
| C53 | C22 | H222 | H221 | 120.7° | 120.7° |
| C22 | C53 | C51 | H512 | 179.3° | 179.3° |
| C22 | C53 | C51 | H511 | 59.8° | 59.8° |
| C22 | C53 | H531 | H532 | 119.5° | 119.5° |
| H202 | C20 | H201 | H203 | 120.0° | 120.0° |
| H211 | C21 | C22 | H222 | 171.6° | 171.6° |
| H211 | C21 | C22 | H221 | 51.2° | 51.2° |
| H211 | C21 | C11 | H111 | 62.6° | 62.6° |
| H212 | C21 | C22 | H222 | 69.0° | 69.0° |
| H212 | C21 | C22 | H221 | 170.5° | 170.5° |
| H212 | C21 | C11 | H111 | 178.0° | 178.1° |
| H222 | C22 | C53 | H531 | 136.4° | 136.4° |
| H222 | C22 | C53 | H532 | 103.9° | 104.0° |
| H221 | C22 | C53 | H531 | 103.2° | 103.2° |
| H221 | C22 | C53 | H532 | 16.5° | 16.5° |
| H011 | C01 | C02 | H021 | 156.4° | 156.4° |
| H011 | C01 | C02 | H022 | 33.8° | 33.8° |
| H021 | C02 | C03 | H031 | 61.0° | 61.0° |
| H022 | C02 | C03 | H031 | 61.6° | 61.6° |
| H031 | C03 | C04 | H042 | 78.4° | 78.4° |
| H031 | C03 | C04 | H041 | 44.9° | 44.9° |
| H111 | C11 | N13 | H131 | 132.6° | 132.6° |
| H182 | C18 | C19 | H191 | 140.8° | 140.9° |
| H182 | C18 | C19 | H192 | 0.0° | 0.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.1° |
| H181 | C18 | C19 | H192 | 140.8° | 140.8° |
| H321 | C32 | C33 | H331 | 0.3° | 0.3° |
| H352 | C35 | H351 | H353 | 120.0° | 120.0° |
| H363 | C36 | H361 | H362 | 120.0° | 120.0° |
| H442 | C44 | C45 | H451 | 0.0° | 0.0° |
| H442 | C44 | C45 | H452 | 141.3° | 141.3° |
| H441 | C44 | C45 | H451 | 141.2° | 141.2° |
| H441 | C44 | C45 | H452 | 0.0° | 0.0° |
| H461 | C46 | H462 | H463 | 119.9° | 119.9° |
| H471 | C47 | C48 | H481 | 147.1° | 147.1° |
| H471 | C47 | C52 | H521 | 148.3° | 148.3° |
| H471 | C47 | C52 | H522 | 7.6° | 7.6° |
| H481 | C48 | C49 | H491 | 1.6° | 1.6° |
| H491 | C49 | C50 | H502 | 170.6° | 170.7° |
| H491 | C49 | C50 | H501 | 69.3° | 69.2° |
| H502 | C50 | C51 | H512 | 170.1° | 170.1° |
| H502 | C50 | C51 | H511 | 50.6° | 50.6° |
| H501 | C50 | C51 | H512 | 69.8° | 69.8° |
| H501 | C50 | C51 | H511 | 170.7° | 170.7° |
| H512 | C51 | C53 | H531 | 60.5° | 60.5° |
| H512 | C51 | C53 | H532 | 59.2° | 59.2° |
| H511 | C51 | C53 | H531 | 179.9° | 179.9° |
| H511 | C51 | C53 | H532 | 60.4° | 60.4° |
