| Bond type | Bond lengthsa (Å) | Bond type | Bond anglesa (˚) | ||
| Exptb. | Comptc. | Exptb. | Comptc. | ||
| C1-C2 | 1.407 | 1.401 | C2-C3-C4 | 121.1 | 120.9 |
| C2-C3 | 1.402 | 1.421 | C6-C1-C2 | 116.1 | 116.9 |
| C3-C4 | 1.404 | 1.401 | C4-C5-C6 | 121.8 | 121.9 |
| C4-C5 | 1.361 | 1.374 | C5-C6-C1 | 122.8 | 122.0 |
| C5-C6 | 1.409 | 1.414 | C5-C4-C3 | 116.8 | 117.1 |
| C6-C1 | 1.358 | 1.374 | C2-C3-N13 | 109.2 | 108.7 |
| C2-N11 | 1.349 | 1.348 | N11-C2-C1 | 130.3 | 131.0 |
| C3-N13 | 1.352 | 1.350 | N13-C3-C2 | 109.2 | 108.7 |
| N11-N12 | 1.340 | 1.341 | N12-N13-C3 | 102.8 | 103.5 |
| N12-N13 | 1.330 | 1.326 | N12-N11-C2 | 103.2 | 103.8 |
| N12-C14 | 1.430 | 1.415 | N12-C14-C15 | 120.5 | 120.6 |
| C14-C15 | 1.398 | 1.408 | C14-C15-O16 | 124.6 | 124.6 |
| C14-C20 | 1.385 | 1.394 | C15-C17-C18 | 121.0 | 121.3 |
| C15-O16 | 1.361 | 1.343 | C17-C18-C19 | 121.7 | 121.5 |
| C15-C17 | 1.383 | 1.396 | C18-C19-C20 | 116.9 | 117.8 |
| C17-C18 | 1.379 | 1.377 | C19-C20-C14 | 122.3 | 121.4 |
| C18-C19 | 1.392 | 1.398 | C20-C14-C15 | 120.1 | 120.6 |
| C19-C20 | 1.380 | 1.382 | C18-C19-C25 | 121.2 | 121.1 |
| C19-C25 | 1.499 | 1.498 |
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