| N1—C2 | 1.483 (4) | C27—H27C | 0.9600 |
| N1—C6 | 1.485 (4) | C51—C56 | 1.380 (9) |
| N1—H11 | 1.09 (3) | C51—C52 | 1.390 (19) |
| N1—H12 | 0.87 (3) | C52—C53 | 1.374 (9) |
| C2—C3 | 1.503 (3) | C52—H52 | 0.9300 |
| C2—H2A | 0.9700 | C53—C54 | 1.362 (9) |
| C2—H2B | 0.9700 | C53—H53 | 0.9300 |
| C3—N4 | 1.458 (3) | C54—C55 | 1.370 (13) |
| C3—H3A | 0.9700 | C54—O54 | 1.377 (9) |
| C3—H3B | 0.9700 | C55—C56 | 1.383 (9) |
| N4—C51 | 1.39 (5) | C55—H55 | 0.9300 |
| N4—C21 | 1.429 (10) | C56—H56 | 0.9300 |
| N4—C5 | 1.462 (3) | O54—C57 | 1.408 (10) |
| C5—C6 | 1.499 (3) | C57—H57A | 0.9600 |
| C5—H5A | 0.9700 | C57—H57B | 0.9600 |
| C5—H5B | 0.9700 | C57—H57C | 0.9600 |
| C6—H6A | 0.9700 | C31—C36 | 1.377 (3) |
| C6—H6B | 0.9700 | C31—C32 | 1.388 (4) |
| C21—C26 | 1.379 (6) | C31—C37 | 1.491 (4) |
| C21—C22 | 1.389 (15) | C32—C33 | 1.374 (4) |
| C22—C23 | 1.374 (4) | C32—H32 | 0.9300 |
| C22—H22 | 0.9300 | C33—C34 | 1.363 (4) |
| C23—C24 | 1.361 (5) | C33—H33 | 0.9300 |
| C23—H23 | 0.9300 | C34—C35 | 1.358 (4) |
| C24—C25 | 1.369 (9) | C34—F34 | 1.360 (4) |
| C24—O24 | 1.373 (4) | C35—C36 | 1.373 (4) |
| C25—C26 | 1.383 (5) | C35—H35 | 0.9300 |
| C25—H25 | 0.9300 | C36—H36 | 0.9300 |
| C26—H26 | 0.9300 | C37—O32 | 1.236 (3) |
| O24—C27 | 1.405 (4) | C37—O31 | 1.266 (4) |
| C27—H27A | 0.9600 | O41—H41 | 0.88 (3) |
| C27—H27B | 0.9600 | O41—H42 | 0.91 (4) |
| C2—N1—C6 | 109.5 (2) | O24—C27—H27A | 109.5 |
| C2—N1—H11 | 111.6 (13) | O24—C27—H27B | 109.5 |
| C6—N1—H11 | 111.1 (13) | H27A—C27—H27B | 109.5 |
| C2—N1—H12 | 107 (2) | O24—C27—H27C | 109.5 |
| C6—N1—H12 | 110.0 (19) | H27A—C27—H27C | 109.5 |
| H11—N1—H12 | 107 (2) | H27B—C27—H27C | 109.5 |
| N1—C2—C3 | 110.9 (2) | C56—C51—C52 | 115.3 (18) |
| N1—C2—H2A | 109.5 | C56—C51—N4 | 122 (4) |
| C3—C2—H2A | 109.5 | C52—C51—N4 | 120 (5) |
| N1—C2—H2B | 109.5 | C53—C52—C51 | 121.2 (14) |
| C3—C2—H2B | 109.5 | C53—C52—H52 | 119.4 |
| H2A—C2—H2B | 108.1 | C51—C52—H52 | 119.4 |
| N4—C3—C2 | 112.7 (2) | C54—C53—C52 | 121.5 (11) |
| N4—C3—H3A | 109.0 | C54—C53—H53 | 119.3 |
| C2—C3—H3A | 109.0 | C52—C53—H53 | 119.3 |
| N4—C3—H3B | 109.0 | C53—C54—C55 | 118.3 (12) |
| C2—C3—H3B | 109.0 | C53—C54—O54 | 116.6 (13) |
| H3A—C3—H3B | 107.8 | C55—C54—O54 | 123.2 (15) |
| C51—N4—C3 | 117 (4) | C54—C55—C56 | 119.0 (16) |
| C21—N4—C3 | 114.4 (9) | C54—C55—H55 | 120.5 |
| C51—N4—C5 | 111 (4) | C56—C55—H55 | 120.5 |
| C21—N4—C5 | 115.5 (10) | C51—C56—C55 | 122.8 (13) |
| C3—N4—C5 | 110.9 (2) | C51—C56—H56 | 118.6 |
| N4—C5—C6 | 112.1 (2) | C55—C56—H56 | 118.6 |
| N4—C5—H5A | 109.2 | C54—O54—C57 | 117.8 (15) |
| C6—C5—H5A | 109.2 | O54—C57—H57A | 109.5 |
| N4—C5—H5B | 109.2 | O54—C57—H57B | 109.5 |
| C6—C5—H5B | 109.2 | H57A—C57—H57B | 109.5 |
| H5A—C5—H5B | 107.9 | O54—C57—H57C | 109.5 |
| N1—C6—C5 | 110.6 (2) | H57A—C57—H57C | 109.5 |
| N1—C6—H6A | 109.5 | H57B—C57—H57C | 109.5 |
| C5—C6—H6A | 109.5 | C36—C31—C32 | 118.3 (3) |
| N1—C6—H6B | 109.5 | C36—C31—C37 | 121.4 (3) |
| C5—C6—H6B | 109.5 | C32—C31—C37 | 120.2 (3) |
| H6A—C6—H6B | 108.1 | C33—C32—C31 | 121.0 (3) |
| C26—C21—C22 | 115.6 (7) | C33—C32—H32 | 119.5 |
| C26—C21—N4 | 121.3 (11) | C31—C32—H32 | 119.5 |
| C22—C21—N4 | 123.1 (9) | C34—C33—C32 | 118.3 (4) |
| C23—C22—C21 | 121.3 (4) | C34—C33—H33 | 120.8 |
| C23—C22—H22 | 119.4 | C32—C33—H33 | 120.8 |
| C21—C22—H22 | 119.4 | C35—C34—F34 | 119.1 (4) |
| C24—C23—C22 | 121.8 (4) | C35—C34—C33 | 122.6 (4) |
| C24—C23—H23 | 119.1 | F34—C34—C33 | 118.3 (4) |
| C22—C23—H23 | 119.1 | C34—C35—C36 | 118.6 (3) |
| C23—C24—C25 | 118.5 (4) | C34—C35—H35 | 120.7 |
| C23—C24—O24 | 116.6 (4) | C36—C35—H35 | 120.7 |
| C25—C24—O24 | 124.8 (4) | C35—C36—C31 | 121.2 (3) |
| C24—C25—C26 | 119.5 (6) | C35—C36—H36 | 119.4 |
| C24—C25—H25 | 120.2 | C31—C36—H36 | 119.4 |
| C26—C25—H25 | 120.2 | O32—C37—O31 | 123.5 (4) |
| C21—C26—C25 | 123.2 (6) | O32—C37—C31 | 118.3 (4) |
| C21—C26—H26 | 118.4 | O31—C37—C31 | 118.2 (3) |
| C25—C26—H26 | 118.4 | H41—O41—H42 | 101 (3) |
| C24—O24—C27 | 118.8 (4) | ||
| C6—N1—C2—C3 | −56.3 (3) | C3—N4—C51—C52 | −38 (19) |
| N1—C2—C3—N4 | 55.3 (3) | C5—N4—C51—C52 | −166 (12) |
| C2—C3—N4—C51 | 178 (9) | C56—C51—C52—C53 | −9 (19) |
| C2—C3—N4—C21 | 174 (2) | N4—C51—C52—C53 | −170 (10) |
| C2—C3—N4—C5 | −53.7 (3) | C51—C52—C53—C54 | 8 (11) |
| C51—N4—C5—C6 | −174 (8) | C52—C53—C54—C55 | −10 (7) |
| C21—N4—C5—C6 | −173 (2) | C52—C53—C54—O54 | −175 (4) |
| C3—N4—C5—C6 | 54.6 (3) | C53—C54—C55—C56 | 12 (11) |
| C2—N1—C6—C5 | 57.4 (3) | O54—C54—C55—C56 | 176 (7) |
| N4—C5—C6—N1 | −57.2 (3) | N4—C51—C56—C55 | 172 (13) |
| C3—N4—C21—C26 | 169 (3) | C54—C55—C56—C51 | −14 (15) |
| C5—N4—C21—C26 | 38 (4) | C53—C54—O54—C57 | 174 (5) |
| C3—N4—C21—C22 | −10 (5) | C55—C54—O54—C57 | 10 (8) |
| C5—N4—C21—C22 | −140 (3) | C36—C31—C32—C33 | 0.8 (4) |
| C26—C21—C22—C23 | 2 (4) | C37—C31—C32—C33 | −179.3 (3) |
| N4—C21—C22—C23 | −179 (2) | C31—C32—C33—C34 | 0.1 (5) |
| C21—C22—C23—C24 | −3 (2) | C32—C33—C34—C35 | −0.7 (5) |
| C22—C23—C24—C25 | 2.3 (13) | C32—C33—C34—F34 | 179.2 (3) |
| C22—C23—C24—O24 | −179.7 (6) | F34—C34—C35—C36 | −179.4 (3) |
| C23—C24—C25—C26 | −2 (2) | C33—C34—C35—C36 | 0.5 (5) |
| O24—C24—C25—C26 | −179.9 (14) | C34—C35—C36—C31 | 0.4 (5) |
| C22—C21—C26—C25 | −2 (4) | C32—C31—C36—C35 | −1.0 (4) |
| N4—C21—C26—C25 | 179 (3) | C37—C31—C36—C35 | 179.1 (3) |
| C24—C25—C26—C21 | 2 (3) | C36—C31—C37—O32 | 177.2 (3) |
| C23—C24—O24—C27 | 173.8 (10) | C32—C31—C37—O32 | −2.7 (4) |
| C25—C24—O24—C27 | −8.4 (16) | C36—C31—C37—O31 | −3.3 (4) |
| C3—N4—C51—C56 | 162 (12) | C32—C31—C37—O31 | 176.8 (3) |
| C5—N4—C51—C56 | 34 (18) |