04H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C26 | sing | 1.53Å | 1.57Å | |
| C26 | C28 | sing | 1.53Å | 1.57Å | |
| C26 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | N30 | sing | 1.47Å | 1.50Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| N30 | C32 | sing | 1.47Å | 1.50Å | |
| N30 | C33 | sing | 1.37Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C33 | N34 | sing | 1.37Å | 1.37Å | |
| C33 | N35 | doub | 1.30Å | 1.26Å | |
| N19 | H19 | sing | 1.01Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| N34 | H342 | sing | 0.97Å | 1.00Å | |
| N35 | H35 | sing | 0.97Å | 1.00Å | |
| N19 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C23 | C26 | 113.0° | 109.5° |
| C23 | N19 | H19 | 109.5° | 111.0° |
| N19 | C23 | H231 | 108.6° | 109.5° |
| N19 | C23 | H232 | 108.6° | 109.5° |
| C23 | N19 | H2 | 109.5° | 111.0° |
| C23 | C26 | C28 | 110.2° | 109.5° |
| C23 | C26 | C29 | 111.3° | 109.5° |
| C26 | C23 | H231 | 108.6° | 109.5° |
| C26 | C23 | H232 | 108.6° | 109.5° |
| C23 | C26 | H26 | 107.8° | 109.5° |
| C28 | C26 | C29 | 111.7° | 109.3° |
| C26 | C28 | N30 | 106.4° | 108.8° |
| C28 | C26 | H26 | 107.7° | 109.5° |
| C26 | C28 | H281 | 110.2° | 109.6° |
| C26 | C28 | H282 | 110.3° | 109.6° |
| C26 | C29 | C31 | 110.6° | 109.5° |
| C29 | C26 | H26 | 107.9° | 109.5° |
| C26 | C29 | H291 | 109.2° | 109.5° |
| C26 | C29 | H292 | 109.2° | 109.5° |
| C28 | N30 | C32 | 117.9° | 118.7° |
| C28 | N30 | C33 | 119.4° | 120.7° |
| N30 | C28 | H281 | 110.2° | 109.6° |
| N30 | C28 | H282 | 110.2° | 109.6° |
| C29 | C31 | C32 | 112.4° | 109.3° |
| C31 | C29 | H291 | 109.2° | 109.4° |
| C31 | C29 | H292 | 109.2° | 109.5° |
| C29 | C31 | H311 | 108.7° | 109.5° |
| C29 | C31 | H312 | 108.7° | 109.4° |
| C32 | N30 | C33 | 122.7° | 120.6° |
| N30 | C32 | C31 | 106.8° | 108.8° |
| N30 | C32 | H321 | 110.1° | 109.6° |
| N30 | C32 | H322 | 110.1° | 109.6° |
| N30 | C33 | N34 | 118.3° | 120.0° |
| N30 | C33 | N35 | 118.4° | 120.0° |
| C32 | C31 | H311 | 108.8° | 109.5° |
| C32 | C31 | H312 | 108.8° | 109.5° |
| C31 | C32 | H321 | 110.2° | 109.6° |
| C31 | C32 | H322 | 110.1° | 109.6° |
| N34 | C33 | N35 | 123.4° | 120.0° |
| C33 | N34 | H341 | 120.0° | 120.0° |
| C33 | N34 | H342 | 120.0° | 120.0° |
| C33 | N35 | H35 | 112.0° | 120.0° |
| H19 | N19 | H2 | 109.5° | 111.1° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.7° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.7° |
| H341 | N34 | H342 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C23 | C26 | H231 | 120.5° | 120.0° |
| N19 | C23 | C26 | H232 | 120.5° | 120.0° |
| N19 | C23 | C26 | C28 | 56.6° | 65.0° |
| N19 | C23 | C26 | C29 | 67.8° | 175.2° |
| C23 | N19 | H19 | H2 | 120.0° | 123.9° |
| N19 | C23 | H231 | H232 | 118.4° | 120.0° |
| N19 | C23 | C26 | H26 | 174.0° | 55.1° |
| C23 | C26 | C28 | C29 | 124.3° | 119.9° |
| C23 | C26 | C28 | H26 | 117.3° | 120.1° |
| C23 | C26 | C29 | H26 | 118.1° | 120.1° |
| C23 | C26 | C28 | N30 | 178.9° | 174.6° |
| C23 | C26 | C29 | C31 | 179.0° | 178.7° |
| C26 | C23 | N19 | H19 | 180.0° | 56.1° |
| C26 | C23 | H231 | H232 | 118.4° | 120.0° |
| C23 | C26 | C28 | H281 | 61.6° | 65.6° |
| C23 | C26 | C28 | H282 | 59.4° | 54.8° |
| C23 | C26 | C29 | H291 | 58.8° | 61.3° |
| C23 | C26 | C29 | H292 | 60.9° | 58.7° |
| C26 | C23 | N19 | H2 | 60.0° | 180.0° |
| C28 | C26 | C29 | H26 | 118.3° | 119.9° |
| C26 | C28 | N30 | H281 | 119.5° | 119.8° |
| C26 | C28 | N30 | H282 | 119.6° | 119.8° |
| C28 | C26 | C29 | C31 | 55.3° | 61.4° |
| C26 | C28 | N30 | C32 | 59.7° | 53.6° |
| C26 | C28 | N30 | C33 | 118.2° | 126.3° |
| C28 | C26 | C23 | H231 | 177.2° | 55.0° |
| C28 | C26 | C23 | H232 | 63.8° | 175.0° |
| C26 | C28 | H281 | H282 | 121.4° | 120.4° |
| C28 | C26 | C29 | H291 | 64.8° | 58.6° |
| C28 | C26 | C29 | H292 | 175.5° | 178.6° |
| C29 | C26 | C28 | N30 | 54.6° | 54.7° |
| C26 | C29 | C31 | H291 | 120.2° | 120.1° |
| C26 | C29 | C31 | H292 | 120.2° | 120.0° |
| C26 | C29 | C31 | C32 | 54.9° | 61.4° |
| C29 | C26 | C23 | H231 | 52.7° | 64.8° |
| C29 | C26 | C23 | H232 | 171.7° | 55.2° |
| C29 | C26 | C28 | H281 | 174.1° | 174.4° |
| C29 | C26 | C28 | H282 | 64.9° | 65.1° |
| C26 | C29 | H291 | H292 | 119.5° | 120.0° |
| C26 | C29 | C31 | H311 | 175.3° | 178.7° |
| C26 | C29 | C31 | H312 | 65.6° | 58.6° |
| C28 | N30 | C32 | C33 | 177.9° | 179.9° |
| C28 | N30 | C32 | C31 | 59.2° | 53.6° |
| C28 | N30 | C33 | N34 | 179.7° | 174.5° |
| C28 | N30 | C33 | N35 | 0.4° | 5.4° |
| N30 | C28 | C26 | H26 | 63.8° | 65.3° |
| N30 | C28 | H281 | H282 | 121.4° | 120.3° |
| C28 | N30 | C32 | H321 | 178.8° | 173.4° |
| C28 | N30 | C32 | H322 | 60.4° | 66.2° |
| C29 | C31 | C32 | N30 | 53.8° | 54.6° |
| C29 | C31 | C32 | H311 | 120.4° | 119.9° |
| C29 | C31 | C32 | H312 | 120.4° | 119.9° |
| C31 | C29 | C26 | H26 | 62.9° | 58.6° |
| C31 | C29 | H291 | H292 | 119.5° | 119.9° |
| C29 | C31 | H311 | H312 | 118.7° | 120.0° |
| C29 | C31 | C32 | H321 | 173.4° | 174.4° |
| C29 | C31 | C32 | H322 | 65.7° | 65.2° |
| N30 | C32 | C31 | H321 | 119.6° | 119.8° |
| N30 | C32 | C31 | H322 | 119.6° | 119.8° |
| C32 | N30 | C33 | N34 | 1.9° | 5.6° |
| C32 | N30 | C33 | N35 | 178.2° | 174.5° |
| C32 | N30 | C28 | H281 | 179.3° | 173.4° |
| C32 | N30 | C28 | H282 | 59.8° | 66.2° |
| N30 | C32 | C31 | H311 | 174.2° | 174.6° |
| N30 | C32 | C31 | H312 | 66.6° | 65.3° |
| N30 | C32 | H321 | H322 | 121.2° | 120.3° |
| C33 | N30 | C32 | C31 | 118.7° | 126.3° |
| N30 | C33 | N34 | N35 | 179.9° | 180.0° |
| C33 | N30 | C28 | H281 | 1.3° | 6.5° |
| C33 | N30 | C28 | H282 | 122.3° | 113.9° |
| C33 | N30 | C32 | H321 | 0.9° | 6.5° |
| C33 | N30 | C32 | H322 | 121.7° | 113.9° |
| N30 | C33 | N34 | H341 | 179.9° | 4.9° |
| N30 | C33 | N34 | H342 | 0.0° | 175.0° |
| N30 | C33 | N35 | H35 | 179.9° | 180.0° |
| C32 | C31 | C29 | H291 | 65.3° | 58.7° |
| C32 | C31 | C29 | H292 | 175.0° | 178.6° |
| C32 | C31 | H311 | H312 | 118.7° | 120.1° |
| C31 | C32 | H321 | H322 | 121.2° | 120.3° |
| C33 | N34 | H341 | H342 | 180.0° | 180.0° |
| N34 | C33 | N35 | H35 | 0.0° | 0.0° |
| N35 | C33 | N34 | H341 | 0.0° | 175.1° |
| N35 | C33 | N34 | H342 | 180.0° | 4.9° |
| H19 | N19 | C23 | H231 | 59.5° | 176.0° |
| H19 | N19 | C23 | H232 | 59.5° | 64.0° |
| H231 | C23 | C26 | H26 | 65.5° | 175.1° |
| H231 | C23 | N19 | H2 | 60.5° | 60.0° |
| H232 | C23 | C26 | H26 | 53.5° | 64.9° |
| H232 | C23 | N19 | H2 | 179.5° | 60.0° |
| H26 | C26 | C28 | H281 | 55.8° | 54.5° |
| H26 | C26 | C28 | H282 | 176.7° | 174.9° |
| H26 | C26 | C29 | H291 | 176.9° | 178.6° |
| H26 | C26 | C29 | H292 | 57.2° | 61.5° |
| H291 | C29 | C31 | H311 | 55.1° | 61.3° |
| H291 | C29 | C31 | H312 | 174.3° | 178.6° |
| H292 | C29 | C31 | H311 | 64.5° | 58.6° |
| H292 | C29 | C31 | H312 | 54.6° | 61.4° |
| H311 | C31 | C32 | H321 | 66.2° | 65.6° |
| H311 | C31 | C32 | H322 | 54.7° | 54.8° |
| H312 | C31 | C32 | H321 | 53.0° | 54.5° |
| H312 | C31 | C32 | H322 | 173.8° | 174.9° |
