| N1—H1 | 0.86 (3) | C19—C20 | 1.398 (3) |
| N1—C1 | 1.367 (3) | C20—H20 | 0.9500 |
| N1—C4 | 1.377 (3) | C20—C21 | 1.384 (3) |
| N2—C19 | 1.339 (3) | C21—H21 | 0.9500 |
| N2—C23 | 1.355 (3) | C21—C22 | 1.377 (3) |
| N3—H3 | 0.89 (3) | C22—H22 | 0.9500 |
| N3—C24 | 1.376 (3) | C22—C23 | 1.394 (3) |
| N3—C27 | 1.360 (3) | C23—C24 | 1.460 (3) |
| C1—C2 | 1.378 (4) | C24—C25 | 1.390 (3) |
| C1—C5 | 1.474 (3) | C25—C26 | 1.417 (3) |
| C2—H2 | 0.9500 | C25—C28 | 1.490 (3) |
| C2—C3 | 1.427 (3) | C26—H26 | 0.9500 |
| C3—C4 | 1.389 (3) | C26—C27 | 1.386 (3) |
| C3—C12 | 1.474 (3) | C27—C35 | 1.466 (3) |
| C4—C19 | 1.473 (3) | C28—C29 | 1.387 (3) |
| C5—C6 | 1.382 (4) | C28—C33 | 1.393 (3) |
| C5—C10 | 1.399 (4) | C29—H29 | 0.9500 |
| C6—H6 | 0.9500 | C29—C30 | 1.387 (3) |
| C6—C7 | 1.391 (4) | C30—H30 | 0.9500 |
| C7—H7 | 0.9500 | C30—C31 | 1.382 (4) |
| C7—C8 | 1.384 (4) | C31—C32 | 1.391 (4) |
| C8—C9 | 1.372 (4) | C31—C34 | 1.510 (3) |
| C8—C11 | 1.511 (4) | C32—H32 | 0.9500 |
| C9—H9 | 0.9500 | C32—C33 | 1.394 (3) |
| C9—C10 | 1.393 (4) | C33—H33 | 0.9500 |
| C10—H10 | 0.9500 | C34—H34A | 0.9800 |
| C11—H11A | 0.9800 | C34—H34B | 0.9800 |
| C11—H11B | 0.9800 | C34—H34C | 0.9800 |
| C11—H11C | 0.9800 | C35—C36 | 1.395 (3) |
| C12—C13 | 1.392 (4) | C35—C40 | 1.395 (3) |
| C12—C17 | 1.400 (3) | C36—H36 | 0.9500 |
| C13—H13 | 0.9500 | C36—C37 | 1.388 (3) |
| C13—C14 | 1.391 (4) | C37—H37 | 0.9500 |
| C14—H14 | 0.9500 | C37—C38 | 1.396 (4) |
| C14—C15 | 1.391 (4) | C38—C39 | 1.386 (4) |
| C15—C16 | 1.388 (4) | C38—C41 | 1.513 (3) |
| C15—C18 | 1.510 (4) | C39—H39 | 0.9500 |
| C16—H16 | 0.9500 | C39—C40 | 1.388 (3) |
| C16—C17 | 1.391 (3) | C40—H40 | 0.9500 |
| C17—H17 | 0.9500 | C41—H41A | 0.9800 |
| C18—H18A | 0.9800 | C41—H41B | 0.9800 |
| C18—H18B | 0.9800 | C41—H41C | 0.9800 |
| C18—H18C | 0.9800 | ||
| C1—N1—H1 | 129.5 (17) | C21—C20—C19 | 117.8 (2) |
| C1—N1—C4 | 111.0 (2) | C21—C20—H20 | 121.1 |
| C4—N1—H1 | 119.0 (17) | C20—C21—H21 | 119.8 |
| C19—N2—C23 | 119.21 (19) | C22—C21—C20 | 120.5 (2) |
| C24—N3—H3 | 117.5 (18) | C22—C21—H21 | 119.8 |
| C27—N3—H3 | 130.8 (18) | C21—C22—H22 | 120.7 |
| C27—N3—C24 | 111.56 (19) | C21—C22—C23 | 118.7 (2) |
| N1—C1—C2 | 106.8 (2) | C23—C22—H22 | 120.7 |
| N1—C1—C5 | 120.2 (2) | N2—C23—C22 | 121.3 (2) |
| C2—C1—C5 | 132.9 (2) | N2—C23—C24 | 114.15 (19) |
| C1—C2—H2 | 125.8 | C22—C23—C24 | 124.5 (2) |
| C1—C2—C3 | 108.5 (2) | N3—C24—C23 | 117.7 (2) |
| C3—C2—H2 | 125.8 | N3—C24—C25 | 106.4 (2) |
| C2—C3—C12 | 124.5 (2) | C25—C24—C23 | 135.9 (2) |
| C4—C3—C2 | 106.6 (2) | C24—C25—C26 | 107.4 (2) |
| C4—C3—C12 | 128.7 (2) | C24—C25—C28 | 126.4 (2) |
| N1—C4—C3 | 107.1 (2) | C26—C25—C28 | 126.2 (2) |
| N1—C4—C19 | 116.7 (2) | C25—C26—H26 | 126.0 |
| C3—C4—C19 | 136.2 (2) | C27—C26—C25 | 108.1 (2) |
| C6—C5—C1 | 121.3 (2) | C27—C26—H26 | 126.0 |
| C6—C5—C10 | 117.9 (2) | N3—C27—C26 | 106.6 (2) |
| C10—C5—C1 | 120.8 (2) | N3—C27—C35 | 121.5 (2) |
| C5—C6—H6 | 119.5 | C26—C27—C35 | 131.9 (2) |
| C5—C6—C7 | 121.0 (3) | C29—C28—C25 | 121.8 (2) |
| C7—C6—H6 | 119.5 | C29—C28—C33 | 117.9 (2) |
| C6—C7—H7 | 119.3 | C33—C28—C25 | 120.2 (2) |
| C8—C7—C6 | 121.3 (3) | C28—C29—H29 | 119.4 |
| C8—C7—H7 | 119.3 | C28—C29—C30 | 121.2 (2) |
| C7—C8—C11 | 121.3 (3) | C30—C29—H29 | 119.4 |
| C9—C8—C7 | 117.6 (2) | C29—C30—H30 | 119.5 |
| C9—C8—C11 | 121.2 (3) | C31—C30—C29 | 121.1 (2) |
| C8—C9—H9 | 119.0 | C31—C30—H30 | 119.5 |
| C8—C9—C10 | 122.0 (3) | C30—C31—C32 | 118.1 (2) |
| C10—C9—H9 | 119.0 | C30—C31—C34 | 120.8 (2) |
| C5—C10—H10 | 119.9 | C32—C31—C34 | 121.1 (2) |
| C9—C10—C5 | 120.1 (3) | C31—C32—H32 | 119.5 |
| C9—C10—H10 | 119.9 | C31—C32—C33 | 120.9 (2) |
| C8—C11—H11A | 109.5 | C33—C32—H32 | 119.5 |
| C8—C11—H11B | 109.5 | C28—C33—C32 | 120.7 (2) |
| C8—C11—H11C | 109.5 | C28—C33—H33 | 119.6 |
| H11A—C11—H11B | 109.5 | C32—C33—H33 | 119.6 |
| H11A—C11—H11C | 109.5 | C31—C34—H34A | 109.5 |
| H11B—C11—H11C | 109.5 | C31—C34—H34B | 109.5 |
| C13—C12—C3 | 121.0 (2) | C31—C34—H34C | 109.5 |
| C13—C12—C17 | 117.7 (2) | H34A—C34—H34B | 109.5 |
| C17—C12—C3 | 121.3 (2) | H34A—C34—H34C | 109.5 |
| C12—C13—H13 | 119.3 | H34B—C34—H34C | 109.5 |
| C14—C13—C12 | 121.4 (2) | C36—C35—C27 | 120.9 (2) |
| C14—C13—H13 | 119.3 | C36—C35—C40 | 117.9 (2) |
| C13—C14—H14 | 119.6 | C40—C35—C27 | 121.2 (2) |
| C13—C14—C15 | 120.9 (3) | C35—C36—H36 | 119.6 |
| C15—C14—H14 | 119.6 | C37—C36—C35 | 120.7 (2) |
| C14—C15—C18 | 121.4 (3) | C37—C36—H36 | 119.6 |
| C16—C15—C14 | 118.0 (2) | C36—C37—H37 | 119.4 |
| C16—C15—C18 | 120.5 (2) | C36—C37—C38 | 121.3 (2) |
| C15—C16—H16 | 119.3 | C38—C37—H37 | 119.4 |
| C15—C16—C17 | 121.4 (2) | C37—C38—C41 | 120.9 (2) |
| C17—C16—H16 | 119.3 | C39—C38—C37 | 117.9 (2) |
| C12—C17—H17 | 119.6 | C39—C38—C41 | 121.3 (2) |
| C16—C17—C12 | 120.7 (2) | C38—C39—H39 | 119.4 |
| C16—C17—H17 | 119.6 | C38—C39—C40 | 121.2 (2) |
| C15—C18—H18A | 109.5 | C40—C39—H39 | 119.4 |
| C15—C18—H18B | 109.5 | C35—C40—H40 | 119.5 |
| C15—C18—H18C | 109.5 | C39—C40—C35 | 121.1 (2) |
| H18A—C18—H18B | 109.5 | C39—C40—H40 | 119.5 |
| H18A—C18—H18C | 109.5 | C38—C41—H41A | 109.5 |
| H18B—C18—H18C | 109.5 | C38—C41—H41B | 109.5 |
| N2—C19—C4 | 114.3 (2) | C38—C41—H41C | 109.5 |
| N2—C19—C20 | 122.3 (2) | H41A—C41—H41B | 109.5 |
| C20—C19—C4 | 123.3 (2) | H41A—C41—H41C | 109.5 |
| C19—C20—H20 | 121.1 | H41B—C41—H41C | 109.5 |
| N1—C1—C2—C3 | 0.1 (3) | C15—C16—C17—C12 | 1.0 (4) |
| N1—C1—C5—C6 | 19.5 (4) | C17—C12—C13—C14 | 1.5 (4) |
| N1—C1—C5—C10 | −160.0 (3) | C18—C15—C16—C17 | 178.2 (2) |
| N1—C4—C19—N2 | −12.1 (3) | C19—N2—C23—C22 | 3.1 (3) |
| N1—C4—C19—C20 | 165.2 (2) | C19—N2—C23—C24 | −175.5 (2) |
| N2—C19—C20—C21 | −3.7 (4) | C19—C20—C21—C22 | 2.2 (4) |
| N2—C23—C24—N3 | −3.0 (3) | C20—C21—C22—C23 | 1.7 (4) |
| N2—C23—C24—C25 | 176.4 (3) | C21—C22—C23—N2 | −4.5 (3) |
| N3—C24—C25—C26 | 0.0 (3) | C21—C22—C23—C24 | 174.0 (2) |
| N3—C24—C25—C28 | −178.2 (2) | C22—C23—C24—N3 | 178.4 (2) |
| N3—C27—C35—C36 | −168.1 (2) | C22—C23—C24—C25 | −2.2 (4) |
| N3—C27—C35—C40 | 11.4 (4) | C23—N2—C19—C4 | 178.4 (2) |
| C1—N1—C4—C3 | 1.4 (3) | C23—N2—C19—C20 | 1.0 (3) |
| C1—N1—C4—C19 | −178.1 (2) | C23—C24—C25—C26 | −179.5 (3) |
| C1—C2—C3—C4 | 0.8 (3) | C23—C24—C25—C28 | 2.3 (4) |
| C1—C2—C3—C12 | −175.3 (2) | C24—N3—C27—C26 | −0.3 (3) |
| C1—C5—C6—C7 | −178.8 (3) | C24—N3—C27—C35 | −179.6 (2) |
| C1—C5—C10—C9 | 179.1 (3) | C24—C25—C26—C27 | −0.1 (3) |
| C2—C1—C5—C6 | −156.7 (3) | C24—C25—C28—C29 | −66.8 (3) |
| C2—C1—C5—C10 | 23.7 (5) | C24—C25—C28—C33 | 111.5 (3) |
| C2—C3—C4—N1 | −1.3 (3) | C25—C26—C27—N3 | 0.3 (3) |
| C2—C3—C4—C19 | 178.1 (3) | C25—C26—C27—C35 | 179.5 (2) |
| C2—C3—C12—C13 | −44.1 (4) | C25—C28—C29—C30 | 175.9 (2) |
| C2—C3—C12—C17 | 133.9 (3) | C25—C28—C33—C32 | −176.0 (2) |
| C3—C4—C19—N2 | 168.6 (3) | C26—C25—C28—C29 | 115.4 (3) |
| C3—C4—C19—C20 | −14.1 (4) | C26—C25—C28—C33 | −66.3 (3) |
| C3—C12—C13—C14 | 179.6 (2) | C26—C27—C35—C36 | 12.8 (4) |
| C3—C12—C17—C16 | −179.7 (2) | C26—C27—C35—C40 | −167.8 (3) |
| C4—N1—C1—C2 | −1.0 (3) | C27—N3—C24—C23 | 179.8 (2) |
| C4—N1—C1—C5 | −178.1 (2) | C27—N3—C24—C25 | 0.2 (3) |
| C4—C3—C12—C13 | 140.8 (3) | C27—C35—C36—C37 | −180.0 (2) |
| C4—C3—C12—C17 | −41.2 (4) | C27—C35—C40—C39 | −179.6 (2) |
| C4—C19—C20—C21 | 179.2 (2) | C28—C25—C26—C27 | 178.0 (2) |
| C5—C1—C2—C3 | 176.7 (3) | C28—C29—C30—C31 | 0.6 (4) |
| C5—C6—C7—C8 | −0.4 (5) | C29—C28—C33—C32 | 2.4 (4) |
| C6—C5—C10—C9 | −0.4 (5) | C29—C30—C31—C32 | 1.4 (4) |
| C6—C7—C8—C9 | −0.4 (5) | C29—C30—C31—C34 | −178.6 (2) |
| C6—C7—C8—C11 | 179.6 (3) | C30—C31—C32—C33 | −1.5 (4) |
| C7—C8—C9—C10 | 0.7 (5) | C31—C32—C33—C28 | −0.4 (4) |
| C8—C9—C10—C5 | −0.3 (5) | C33—C28—C29—C30 | −2.5 (4) |
| C10—C5—C6—C7 | 0.8 (5) | C34—C31—C32—C33 | 178.5 (2) |
| C11—C8—C9—C10 | −179.2 (3) | C35—C36—C37—C38 | −0.4 (4) |
| C12—C3—C4—N1 | 174.5 (2) | C36—C35—C40—C39 | −0.1 (4) |
| C12—C3—C4—C19 | −6.1 (5) | C36—C37—C38—C39 | −0.2 (4) |
| C12—C13—C14—C15 | −0.8 (4) | C36—C37—C38—C41 | 178.7 (2) |
| C13—C12—C17—C16 | −1.6 (4) | C37—C38—C39—C40 | 0.6 (4) |
| C13—C14—C15—C16 | 0.2 (4) | C38—C39—C40—C35 | −0.5 (4) |
| C13—C14—C15—C18 | −178.3 (3) | C40—C35—C36—C37 | 0.6 (4) |
| C14—C15—C16—C17 | −0.3 (4) | C41—C38—C39—C40 | −178.3 (3) |