| S7—C6 | 1.763 (4) | O52—C53 | 1.416 (5) |
| S7—C8 | 1.775 (4) | C15—H15A | 0.9900 |
| S37—C38 | 1.761 (4) | C15—H15B | 0.9900 |
| S37—C36 | 1.769 (4) | C1—C6 | 1.388 (5) |
| O3—C27 | 1.258 (4) | C1—C2 | 1.398 (5) |
| O4—C27 | 1.276 (4) | C9—C8 | 1.401 (5) |
| O5—C54 | 1.252 (4) | C24—C25 | 1.499 (5) |
| O1—C24 | 1.221 (4) | C54—C55 | 1.504 (5) |
| O2—C24 | 1.309 (5) | C33—C34 | 1.380 (5) |
| O2—H2O | 0.8400 | C33—C32 | 1.393 (5) |
| O22—C3 | 1.369 (4) | C19—H19A | 0.9800 |
| O22—C23 | 1.429 (4) | C19—H19B | 0.9800 |
| O7—C57 | 1.227 (4) | C19—H19C | 0.9800 |
| O6—C54 | 1.277 (4) | C3—C4 | 1.389 (5) |
| N48—C50 | 1.491 (4) | C3—C2 | 1.397 (5) |
| N48—C49 | 1.494 (4) | C26—C25 | 1.343 (5) |
| N48—C47 | 1.504 (4) | C26—H26 | 0.9500 |
| N48—H48N | 1.0000 | C6—C5 | 1.409 (5) |
| N18—C20 | 1.487 (4) | C55—C56 | 1.346 (5) |
| N18—C19 | 1.496 (4) | C55—H55 | 0.9500 |
| N18—C17 | 1.504 (4) | C57—C56 | 1.490 (5) |
| N18—H18N | 1.0000 | C39—C38 | 1.401 (5) |
| O8—C57 | 1.293 (5) | C39—C44 | 1.402 (5) |
| O8—H8O | 0.8400 | C31—C32 | 1.393 (5) |
| N10—C1 | 1.425 (4) | C8—C11 | 1.382 (5) |
| N10—C9 | 1.426 (4) | C4—C5 | 1.372 (5) |
| N10—C15 | 1.463 (4) | C4—H4 | 0.9500 |
| C16—C21 | 1.520 (5) | C34—C35 | 1.392 (5) |
| C16—C17 | 1.527 (4) | C34—H34 | 0.9500 |
| C16—C15 | 1.544 (4) | C5—H5 | 0.9500 |
| C16—H16 | 1.0000 | C38—C41 | 1.383 (5) |
| C20—H20A | 0.9800 | C13—C12 | 1.383 (6) |
| C20—H20B | 0.9800 | C13—H13 | 0.9500 |
| C20—H20C | 0.9800 | C2—H2 | 0.9500 |
| C27—C26 | 1.494 (5) | C25—H25 | 0.9500 |
| C17—H17A | 0.9900 | C51—H51A | 0.9800 |
| C17—H17B | 0.9900 | C51—H51B | 0.9800 |
| N40—C31 | 1.406 (4) | C51—H51C | 0.9800 |
| N40—C39 | 1.426 (4) | C56—H56 | 0.9500 |
| N40—C45 | 1.453 (4) | C32—H32 | 0.9500 |
| C36—C35 | 1.396 (5) | C23—H23A | 0.9800 |
| C36—C31 | 1.406 (5) | C23—H23B | 0.9800 |
| C46—C47 | 1.519 (4) | C23—H23C | 0.9800 |
| C46—C51 | 1.525 (5) | C49—H49A | 0.9800 |
| C46—C45 | 1.543 (5) | C49—H49B | 0.9800 |
| C46—H46 | 1.0000 | C49—H49C | 0.9800 |
| C45—H45A | 0.9900 | C35—H35 | 0.9500 |
| C45—H45B | 0.9900 | C12—C11 | 1.387 (6) |
| C47—H47A | 0.9900 | C12—H12 | 0.9500 |
| C47—H47B | 0.9900 | C11—H11 | 0.9500 |
| C50—H50A | 0.9800 | C42—C43 | 1.379 (8) |
| C50—H50B | 0.9800 | C42—C41 | 1.388 (7) |
| C50—H50C | 0.9800 | C42—H42 | 0.9500 |
| C14—C9 | 1.391 (5) | C43—C44 | 1.399 (6) |
| C14—C13 | 1.401 (5) | C43—H43 | 0.9500 |
| C14—H14 | 0.9500 | C44—H44 | 0.9500 |
| C21—H21A | 0.9800 | C41—H41 | 0.9500 |
| C21—H21B | 0.9800 | C53—H53A | 0.9800 |
| C21—H21C | 0.9800 | C53—H53B | 0.9800 |
| O52—C33 | 1.369 (4) | C53—H53C | 0.9800 |
| C6—S7—C8 | 97.88 (16) | N18—C19—H19A | 109.5 |
| C38—S37—C36 | 97.47 (17) | N18—C19—H19B | 109.5 |
| C24—O2—H2O | 109.5 | H19A—C19—H19B | 109.5 |
| C3—O22—C23 | 117.5 (2) | N18—C19—H19C | 109.5 |
| C50—N48—C49 | 109.7 (3) | H19A—C19—H19C | 109.5 |
| C50—N48—C47 | 110.5 (3) | H19B—C19—H19C | 109.5 |
| C49—N48—C47 | 112.8 (2) | O22—C3—C4 | 116.6 (3) |
| C50—N48—H48N | 107.9 | O22—C3—C2 | 123.5 (3) |
| C49—N48—H48N | 107.9 | C4—C3—C2 | 119.9 (3) |
| C47—N48—H48N | 107.9 | C25—C26—C27 | 130.8 (3) |
| C20—N18—C19 | 110.9 (3) | C25—C26—H26 | 114.6 |
| C20—N18—C17 | 109.6 (3) | C27—C26—H26 | 114.6 |
| C19—N18—C17 | 112.0 (2) | C1—C6—C5 | 119.5 (3) |
| C20—N18—H18N | 108.1 | C1—C6—S7 | 119.1 (3) |
| C19—N18—H18N | 108.1 | C5—C6—S7 | 121.2 (3) |
| C17—N18—H18N | 108.1 | C56—C55—C54 | 130.1 (4) |
| C57—O8—H8O | 109.5 | C56—C55—H55 | 114.9 |
| C1—N10—C9 | 117.4 (3) | C54—C55—H55 | 114.9 |
| C1—N10—C15 | 119.4 (3) | O7—C57—O8 | 122.2 (3) |
| C9—N10—C15 | 118.0 (3) | O7—C57—C56 | 117.5 (4) |
| C21—C16—C17 | 114.1 (3) | O8—C57—C56 | 120.2 (3) |
| C21—C16—C15 | 111.4 (3) | C38—C39—C44 | 119.1 (3) |
| C17—C16—C15 | 106.0 (2) | C38—C39—N40 | 119.1 (3) |
| C21—C16—H16 | 108.4 | C44—C39—N40 | 121.7 (4) |
| C17—C16—H16 | 108.4 | C32—C31—N40 | 121.7 (3) |
| C15—C16—H16 | 108.4 | C32—C31—C36 | 118.7 (3) |
| N18—C20—H20A | 109.5 | N40—C31—C36 | 119.5 (3) |
| N18—C20—H20B | 109.5 | C11—C8—C9 | 120.9 (3) |
| H20A—C20—H20B | 109.5 | C11—C8—S7 | 120.6 (3) |
| N18—C20—H20C | 109.5 | C9—C8—S7 | 118.5 (3) |
| H20A—C20—H20C | 109.5 | C5—C4—C3 | 120.0 (3) |
| H20B—C20—H20C | 109.5 | C5—C4—H4 | 120.0 |
| O3—C27—O4 | 123.0 (3) | C3—C4—H4 | 120.0 |
| O3—C27—C26 | 116.2 (3) | C33—C34—C35 | 119.1 (3) |
| O4—C27—C26 | 120.8 (3) | C33—C34—H34 | 120.5 |
| N18—C17—C16 | 114.6 (3) | C35—C34—H34 | 120.5 |
| N18—C17—H17A | 108.6 | C4—C5—C6 | 120.7 (3) |
| C16—C17—H17A | 108.6 | C4—C5—H5 | 119.7 |
| N18—C17—H17B | 108.6 | C6—C5—H5 | 119.7 |
| C16—C17—H17B | 108.6 | C41—C38—C39 | 120.2 (4) |
| H17A—C17—H17B | 107.6 | C41—C38—S37 | 121.3 (3) |
| C31—N40—C39 | 117.2 (3) | C39—C38—S37 | 118.5 (2) |
| C31—N40—C45 | 121.6 (3) | C12—C13—C14 | 120.7 (4) |
| C39—N40—C45 | 118.9 (3) | C12—C13—H13 | 119.7 |
| C35—C36—C31 | 120.1 (3) | C14—C13—H13 | 119.7 |
| C35—C36—S37 | 121.7 (3) | C3—C2—C1 | 120.2 (3) |
| C31—C36—S37 | 118.1 (2) | C3—C2—H2 | 119.9 |
| C47—C46—C51 | 112.9 (3) | C1—C2—H2 | 119.9 |
| C47—C46—C45 | 108.6 (3) | C26—C25—C24 | 130.5 (3) |
| C51—C46—C45 | 110.1 (3) | C26—C25—H25 | 114.8 |
| C47—C46—H46 | 108.4 | C24—C25—H25 | 114.8 |
| C51—C46—H46 | 108.4 | C46—C51—H51A | 109.5 |
| C45—C46—H46 | 108.4 | C46—C51—H51B | 109.5 |
| N40—C45—C46 | 110.0 (3) | H51A—C51—H51B | 109.5 |
| N40—C45—H45A | 109.7 | C46—C51—H51C | 109.5 |
| C46—C45—H45A | 109.7 | H51A—C51—H51C | 109.5 |
| N40—C45—H45B | 109.7 | H51B—C51—H51C | 109.5 |
| C46—C45—H45B | 109.7 | C55—C56—C57 | 130.5 (4) |
| H45A—C45—H45B | 108.2 | C55—C56—H56 | 114.7 |
| N48—C47—C46 | 113.8 (3) | C57—C56—H56 | 114.7 |
| N48—C47—H47A | 108.8 | C33—C32—C31 | 120.4 (3) |
| C46—C47—H47A | 108.8 | C33—C32—H32 | 119.8 |
| N48—C47—H47B | 108.8 | C31—C32—H32 | 119.8 |
| C46—C47—H47B | 108.8 | O22—C23—H23A | 109.5 |
| H47A—C47—H47B | 107.7 | O22—C23—H23B | 109.5 |
| N48—C50—H50A | 109.5 | H23A—C23—H23B | 109.5 |
| N48—C50—H50B | 109.5 | O22—C23—H23C | 109.5 |
| H50A—C50—H50B | 109.5 | H23A—C23—H23C | 109.5 |
| N48—C50—H50C | 109.5 | H23B—C23—H23C | 109.5 |
| H50A—C50—H50C | 109.5 | N48—C49—H49A | 109.5 |
| H50B—C50—H50C | 109.5 | N48—C49—H49B | 109.5 |
| C9—C14—C13 | 119.6 (3) | H49A—C49—H49B | 109.5 |
| C9—C14—H14 | 120.2 | N48—C49—H49C | 109.5 |
| C13—C14—H14 | 120.2 | H49A—C49—H49C | 109.5 |
| C16—C21—H21A | 109.5 | H49B—C49—H49C | 109.5 |
| C16—C21—H21B | 109.5 | C34—C35—C36 | 120.6 (3) |
| H21A—C21—H21B | 109.5 | C34—C35—H35 | 119.7 |
| C16—C21—H21C | 109.5 | C36—C35—H35 | 119.7 |
| H21A—C21—H21C | 109.5 | C13—C12—C11 | 119.7 (3) |
| H21B—C21—H21C | 109.5 | C13—C12—H12 | 120.1 |
| C33—O52—C53 | 114.9 (3) | C11—C12—H12 | 120.1 |
| N10—C15—C16 | 111.9 (3) | C8—C11—C12 | 120.0 (4) |
| N10—C15—H15A | 109.2 | C8—C11—H11 | 120.0 |
| C16—C15—H15A | 109.2 | C12—C11—H11 | 120.0 |
| N10—C15—H15B | 109.2 | C43—C42—C41 | 119.6 (4) |
| C16—C15—H15B | 109.2 | C43—C42—H42 | 120.2 |
| H15A—C15—H15B | 107.9 | C41—C42—H42 | 120.2 |
| C6—C1—C2 | 119.6 (3) | C42—C43—C44 | 120.7 (4) |
| C6—C1—N10 | 118.6 (3) | C42—C43—H43 | 119.7 |
| C2—C1—N10 | 121.9 (3) | C44—C43—H43 | 119.7 |
| C14—C9—C8 | 119.1 (3) | C43—C44—C39 | 119.6 (4) |
| C14—C9—N10 | 122.3 (3) | C43—C44—H44 | 120.2 |
| C8—C9—N10 | 118.6 (3) | C39—C44—H44 | 120.2 |
| O1—C24—O2 | 121.8 (3) | C38—C41—C42 | 120.7 (4) |
| O1—C24—C25 | 118.3 (3) | C38—C41—H41 | 119.7 |
| O2—C24—C25 | 119.9 (3) | C42—C41—H41 | 119.7 |
| O5—C54—O6 | 123.5 (3) | O52—C53—H53A | 109.5 |
| O5—C54—C55 | 115.8 (3) | O52—C53—H53B | 109.5 |
| O6—C54—C55 | 120.6 (3) | H53A—C53—H53B | 109.5 |
| O52—C33—C34 | 124.6 (3) | O52—C53—H53C | 109.5 |
| O52—C33—C32 | 114.3 (3) | H53A—C53—H53C | 109.5 |
| C34—C33—C32 | 121.1 (3) | H53B—C53—H53C | 109.5 |