RAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.59Å | |
| C01 | C03 | sing | 1.53Å | 1.58Å | |
| C01 | N08 | sing | 1.47Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.11Å | |
| C02 | C05 | sing | 1.50Å | 1.57Å | |
| C02 | H021 | sing | 1.09Å | 1.11Å | |
| C02 | H022 | sing | 1.09Å | 1.11Å | |
| C03 | C07 | sing | 1.53Å | 1.54Å | |
| C03 | H031 | sing | 1.09Å | 1.11Å | |
| C03 | H032 | sing | 1.09Å | 1.11Å | |
| C05 | C31 | doub | 1.29Å | 1.55Å | |
| C05 | H05 | sing | 1.08Å | 1.10Å | |
| C07 | C31 | sing | 1.50Å | 1.38Å | |
| C07 | H071 | sing | 1.09Å | 1.12Å | |
| C07 | H072 | sing | 1.09Å | 1.11Å | |
| N08 | C11 | sing | 1.47Å | 1.47Å | |
| N08 | C19 | sing | 1.47Å | 1.46Å | |
| N08 | H08 | sing | 1.01Å | 1.02Å | |
| C09 | C10 | sing | 1.51Å | 1.50Å | |
| C09 | C14 | doub | 1.31Å | 1.34Å | |
| C09 | H09 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| C14 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.49Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C32 | H323 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 107.7° | 108.4° |
| C02 | C01 | N08 | 114.2° | 109.7° |
| C02 | C01 | H01 | 108.0° | 109.6° |
| C01 | C02 | C05 | 111.3° | 110.2° |
| C01 | C02 | H021 | 111.5° | 109.3° |
| C01 | C02 | H022 | 111.5° | 109.3° |
| C03 | C01 | N08 | 110.9° | 109.7° |
| C03 | C01 | H01 | 111.5° | 109.7° |
| C01 | C03 | C07 | 108.6° | 108.5° |
| C01 | C03 | H031 | 112.5° | 109.6° |
| C01 | C03 | H032 | 112.6° | 109.6° |
| N08 | C01 | H01 | 104.6° | 109.8° |
| C01 | N08 | C11 | 114.1° | 109.5° |
| C01 | N08 | C19 | 115.5° | 109.5° |
| C01 | N08 | H08 | 100.5° | 109.4° |
| C05 | C02 | H021 | 111.5° | 109.4° |
| C05 | C02 | H022 | 111.5° | 109.4° |
| C02 | C05 | C31 | 114.1° | 124.1° |
| C02 | C05 | H05 | 123.6° | 118.0° |
| H021 | C02 | H022 | 98.8° | 109.2° |
| C07 | C03 | H031 | 112.5° | 109.6° |
| C07 | C03 | H032 | 112.6° | 109.7° |
| C03 | C07 | C31 | 123.8° | 110.1° |
| C03 | C07 | H071 | 107.2° | 109.4° |
| C03 | C07 | H072 | 107.1° | 109.3° |
| H031 | C03 | H032 | 97.9° | 109.8° |
| C31 | C05 | H05 | 122.4° | 118.0° |
| C05 | C31 | C07 | 122.2° | 124.1° |
| C05 | C31 | C32 | 116.0° | 118.0° |
| C31 | C07 | H071 | 107.1° | 109.4° |
| C31 | C07 | H072 | 107.2° | 109.3° |
| C07 | C31 | C32 | 121.8° | 118.0° |
| H071 | C07 | H072 | 102.5° | 109.3° |
| C11 | N08 | C19 | 105.4° | 109.5° |
| C11 | N08 | H08 | 111.5° | 109.5° |
| N08 | C11 | C10 | 115.2° | 109.5° |
| N08 | C11 | H111 | 110.1° | 109.5° |
| N08 | C11 | H112 | 110.1° | 109.5° |
| C19 | N08 | H08 | 110.0° | 109.5° |
| N08 | C19 | H191 | 110.0° | 109.5° |
| N08 | C19 | H192 | 115.5° | 109.5° |
| N08 | C19 | H193 | 110.0° | 109.5° |
| C10 | C09 | C14 | 129.8° | 119.9° |
| C10 | C09 | H09 | 121.9° | 120.0° |
| C09 | C10 | C11 | 114.3° | 109.4° |
| C09 | C10 | H101 | 110.4° | 109.5° |
| C09 | C10 | H102 | 110.4° | 109.5° |
| C14 | C09 | H09 | 108.3° | 120.0° |
| C09 | C14 | C17 | 127.0° | 120.0° |
| C09 | C14 | C18 | 118.9° | 119.9° |
| C11 | C10 | H101 | 110.4° | 109.5° |
| C11 | C10 | H102 | 110.4° | 109.4° |
| C10 | C11 | H111 | 110.1° | 109.5° |
| C10 | C11 | H112 | 110.1° | 109.5° |
| H101 | C10 | H102 | 99.8° | 109.5° |
| H111 | C11 | H112 | 100.1° | 109.4° |
| C17 | C14 | C18 | 114.1° | 120.0° |
| C14 | C17 | H171 | 106.0° | 109.5° |
| C14 | C17 | H172 | 127.0° | 109.5° |
| C14 | C17 | H173 | 106.0° | 109.5° |
| C14 | C18 | H181 | 108.8° | 109.5° |
| C14 | C18 | H182 | 118.9° | 109.5° |
| C14 | C18 | H183 | 108.9° | 109.5° |
| H171 | C17 | H172 | 106.1° | 109.4° |
| H171 | C17 | H173 | 103.4° | 109.5° |
| H172 | C17 | H173 | 106.0° | 109.4° |
| H181 | C18 | H182 | 108.8° | 109.5° |
| H181 | C18 | H183 | 101.2° | 109.5° |
| H182 | C18 | H183 | 108.8° | 109.5° |
| H191 | C19 | H192 | 110.0° | 109.4° |
| H191 | C19 | H193 | 100.2° | 109.5° |
| H192 | C19 | H193 | 110.0° | 109.4° |
| C31 | C32 | H321 | 109.9° | 109.4° |
| C31 | C32 | H322 | 116.0° | 109.5° |
| C31 | C32 | H323 | 109.8° | 109.5° |
| H321 | C32 | H322 | 109.8° | 109.5° |
| H321 | C32 | H323 | 100.3° | 109.5° |
| H322 | C32 | H323 | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | N08 | 125.7° | 119.7° |
| C02 | C01 | C03 | H01 | 118.3° | 119.7° |
| C02 | C01 | N08 | H01 | 117.8° | 120.5° |
| C01 | C02 | C05 | H021 | 125.3° | 120.2° |
| C01 | C02 | C05 | H022 | 125.3° | 120.2° |
| C01 | C02 | H021 | H022 | 117.4° | 119.6° |
| C02 | C01 | C03 | C07 | 57.8° | 67.5° |
| C02 | C01 | C03 | H031 | 67.4° | 172.9° |
| C02 | C01 | C03 | H032 | 176.9° | 52.3° |
| C01 | C02 | C05 | C31 | 33.4° | 17.1° |
| C01 | C02 | C05 | H05 | 146.6° | 162.9° |
| C02 | C01 | N08 | C11 | 40.6° | 174.2° |
| C02 | C01 | N08 | C19 | 81.8° | 54.2° |
| C02 | C01 | N08 | H08 | 159.9° | 65.8° |
| C03 | C01 | N08 | H01 | 120.3° | 120.6° |
| C03 | C01 | C02 | C05 | 62.5° | 49.4° |
| C03 | C01 | C02 | H021 | 172.2° | 70.8° |
| C03 | C01 | C02 | H022 | 62.8° | 169.6° |
| C01 | C03 | C07 | H031 | 125.2° | 119.6° |
| C01 | C03 | C07 | H032 | 125.3° | 119.7° |
| C01 | C03 | H031 | H032 | 118.5° | 120.5° |
| C01 | C03 | C07 | C31 | 27.9° | 49.5° |
| C01 | C03 | C07 | H071 | 153.1° | 70.7° |
| C01 | C03 | C07 | H072 | 97.4° | 169.6° |
| C03 | C01 | N08 | C11 | 162.5° | 66.9° |
| C03 | C01 | N08 | C19 | 40.1° | 173.1° |
| C03 | C01 | N08 | H08 | 78.2° | 53.1° |
| N08 | C01 | C02 | C05 | 173.8° | 169.1° |
| N08 | C01 | C02 | H021 | 48.6° | 48.9° |
| N08 | C01 | C02 | H022 | 60.9° | 70.7° |
| N08 | C01 | C03 | C07 | 176.6° | 172.9° |
| N08 | C01 | C03 | H031 | 58.2° | 53.2° |
| N08 | C01 | C03 | H032 | 51.3° | 67.4° |
| C01 | N08 | C11 | C19 | 127.8° | 120.0° |
| C01 | N08 | C11 | H08 | 112.9° | 119.9° |
| C01 | N08 | C19 | H08 | 112.8° | 119.9° |
| C01 | N08 | C11 | C10 | 54.4° | 176.2° |
| C01 | N08 | C11 | H111 | 179.7° | 56.2° |
| C01 | N08 | C11 | H112 | 70.9° | 63.8° |
| C01 | N08 | C19 | H191 | 54.7° | 180.0° |
| C01 | N08 | C19 | H192 | 180.0° | 60.0° |
| C01 | N08 | C19 | H193 | 54.7° | 60.0° |
| H01 | C01 | C02 | C05 | 58.0° | 70.2° |
| H01 | C01 | C02 | H021 | 67.3° | 169.5° |
| H01 | C01 | C02 | H022 | 176.7° | 50.0° |
| H01 | C01 | C03 | C07 | 60.5° | 52.2° |
| H01 | C01 | C03 | H031 | 174.3° | 67.5° |
| H01 | C01 | C03 | H032 | 64.8° | 172.0° |
| H01 | C01 | N08 | C11 | 77.3° | 53.7° |
| H01 | C01 | N08 | C19 | 160.3° | 66.3° |
| H01 | C01 | N08 | H08 | 42.1° | 173.7° |
| C05 | C02 | H021 | H022 | 117.4° | 119.7° |
| C02 | C05 | C31 | H05 | 180.0° | 180.0° |
| C02 | C05 | C31 | C07 | 1.2° | 0.5° |
| C02 | C05 | C31 | C32 | 179.1° | 179.5° |
| H021 | C02 | C05 | C31 | 158.7° | 103.1° |
| H021 | C02 | C05 | H05 | 21.3° | 76.9° |
| H022 | C02 | C05 | C31 | 91.9° | 137.3° |
| H022 | C02 | C05 | H05 | 88.2° | 42.7° |
| C07 | C03 | H031 | H032 | 118.5° | 120.6° |
| C03 | C07 | C31 | C05 | 1.6° | 17.2° |
| C03 | C07 | C31 | H071 | 125.3° | 120.2° |
| C03 | C07 | C31 | H072 | 125.3° | 120.2° |
| C03 | C07 | H071 | H072 | 112.6° | 119.7° |
| C03 | C07 | C31 | C32 | 178.2° | 162.8° |
| H031 | C03 | C07 | C31 | 97.4° | 169.1° |
| H031 | C03 | C07 | H071 | 27.9° | 48.9° |
| H031 | C03 | C07 | H072 | 137.4° | 70.7° |
| H032 | C03 | C07 | C31 | 153.1° | 70.2° |
| H032 | C03 | C07 | H071 | 81.6° | 169.5° |
| H032 | C03 | C07 | H072 | 27.9° | 49.9° |
| C05 | C31 | C07 | C32 | 179.7° | 180.0° |
| C05 | C31 | C07 | H071 | 123.7° | 103.1° |
| C05 | C31 | C07 | H072 | 126.8° | 137.3° |
| C05 | C31 | C32 | H321 | 54.7° | 0.0° |
| C05 | C31 | C32 | H322 | 180.0° | 120.0° |
| C05 | C31 | C32 | H323 | 54.7° | 120.0° |
| H05 | C05 | C31 | C07 | 178.8° | 179.5° |
| H05 | C05 | C31 | C32 | 0.9° | 0.5° |
| C31 | C07 | H071 | H072 | 112.6° | 119.6° |
| C07 | C31 | C32 | H321 | 125.0° | 180.0° |
| C07 | C31 | C32 | H322 | 0.3° | 60.0° |
| C07 | C31 | C32 | H323 | 125.5° | 60.0° |
| H071 | C07 | C31 | C32 | 56.6° | 76.9° |
| H072 | C07 | C31 | C32 | 52.9° | 42.7° |
| C11 | N08 | C19 | H08 | 120.3° | 120.0° |
| N08 | C11 | C10 | C09 | 151.5° | 180.0° |
| N08 | C11 | C10 | H111 | 125.3° | 120.0° |
| N08 | C11 | C10 | H112 | 125.3° | 120.0° |
| N08 | C11 | C10 | H101 | 83.2° | 60.0° |
| N08 | C11 | C10 | H102 | 26.3° | 60.0° |
| N08 | C11 | H111 | H112 | 115.9° | 120.0° |
| C11 | N08 | C19 | H191 | 178.4° | 59.9° |
| C11 | N08 | C19 | H192 | 53.1° | 60.0° |
| C11 | N08 | C19 | H193 | 72.2° | 180.0° |
| C19 | N08 | C11 | C10 | 177.8° | 63.8° |
| C19 | N08 | C11 | H111 | 52.5° | 176.2° |
| C19 | N08 | C11 | H112 | 56.9° | 56.3° |
| N08 | C19 | H191 | H192 | 128.4° | 120.0° |
| N08 | C19 | H191 | H193 | 115.8° | 120.1° |
| N08 | C19 | H192 | H193 | 125.3° | 120.0° |
| H08 | N08 | C11 | C10 | 58.5° | 56.3° |
| H08 | N08 | C11 | H111 | 66.7° | 63.8° |
| H08 | N08 | C11 | H112 | 176.2° | 176.3° |
| H08 | N08 | C19 | H191 | 58.1° | 60.1° |
| H08 | N08 | C19 | H192 | 67.2° | 180.0° |
| H08 | N08 | C19 | H193 | 167.5° | 60.0° |
| C10 | C09 | C14 | H09 | 180.0° | 180.0° |
| C09 | C10 | C11 | H101 | 125.3° | 120.0° |
| C09 | C10 | C11 | H102 | 125.2° | 120.0° |
| C09 | C10 | H101 | H102 | 116.3° | 120.0° |
| C09 | C10 | C11 | H111 | 83.2° | 60.0° |
| C09 | C10 | C11 | H112 | 26.2° | 60.0° |
| C10 | C09 | C14 | C17 | 0.3° | 10.2° |
| C10 | C09 | C14 | C18 | 179.3° | 169.8° |
| C14 | C09 | C10 | C11 | 114.4° | 128.4° |
| C14 | C09 | C10 | H101 | 120.3° | 8.4° |
| C14 | C09 | C10 | H102 | 10.8° | 111.7° |
| C09 | C14 | C17 | C18 | 179.6° | 180.0° |
| C09 | C14 | C17 | H171 | 54.7° | 5.5° |
| C09 | C14 | C17 | H172 | 180.0° | 114.4° |
| C09 | C14 | C17 | H173 | 54.7° | 125.6° |
| C09 | C14 | C18 | H181 | 54.8° | 90.0° |
| C09 | C14 | C18 | H182 | 180.0° | 150.0° |
| C09 | C14 | C18 | H183 | 54.7° | 30.0° |
| H09 | C09 | C10 | C11 | 65.5° | 51.6° |
| H09 | C09 | C10 | H101 | 59.8° | 171.6° |
| H09 | C09 | C10 | H102 | 169.2° | 68.3° |
| H09 | C09 | C14 | C17 | 179.7° | 169.8° |
| H09 | C09 | C14 | C18 | 0.8° | 10.3° |
| C11 | C10 | H101 | H102 | 116.3° | 120.0° |
| C10 | C11 | H111 | H112 | 115.9° | 120.0° |
| H101 | C10 | C11 | H111 | 42.1° | 60.0° |
| H101 | C10 | C11 | H112 | 151.5° | 179.9° |
| H102 | C10 | C11 | H111 | 151.6° | 180.0° |
| H102 | C10 | C11 | H112 | 99.0° | 60.0° |
| C14 | C17 | H171 | H172 | 137.3° | 120.0° |
| C14 | C17 | H171 | H173 | 111.4° | 120.0° |
| C14 | C17 | H172 | H173 | 125.2° | 120.0° |
| C17 | C14 | C18 | H181 | 124.8° | 90.0° |
| C17 | C14 | C18 | H182 | 0.4° | 30.0° |
| C17 | C14 | C18 | H183 | 125.7° | 150.0° |
| C18 | C14 | C17 | H171 | 125.7° | 174.5° |
| C18 | C14 | C17 | H172 | 0.4° | 65.5° |
| C18 | C14 | C17 | H173 | 124.8° | 54.4° |
| C14 | C18 | H181 | H182 | 130.9° | 120.0° |
| C14 | C18 | H181 | H183 | 114.6° | 120.0° |
| C14 | C18 | H182 | H183 | 125.3° | 120.0° |
| H171 | C17 | H172 | H173 | 109.5° | 120.0° |
| H181 | C18 | H182 | H183 | 109.4° | 120.0° |
| H191 | C19 | H192 | H193 | 109.5° | 120.0° |
| C31 | C32 | H321 | H322 | 128.8° | 120.0° |
| C31 | C32 | H321 | H323 | 115.6° | 120.0° |
| C31 | C32 | H322 | H323 | 125.2° | 120.0° |
| H321 | C32 | H322 | H323 | 109.5° | 120.0° |
