0 mol 9 unq 0 iso 0 dist 9.99657 14.634 8.59513 12.8646 6.59312 5.47 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.99657 12.8646 6.59312 14.634 8.59513 5.47 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 5.37302 3.77247 5.35711 7.1034 6.23759 7.41778 numMergedOcc 0
3 mol 113 unq 0 iso 1 dist 5.37302 7.1034 6.23759 3.77247 5.35711 7.41778 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.03783 7.4003 5.35711 3.74516 6.23759 7.41778 numMergedOcc 0
5 mol 113 unq 1 iso 1 dist 8.03783 3.74516 6.23759 7.4003 5.35711 7.41778 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 8.47541 7.80142 5.35711 9.72813 6.23759 7.41778 numMergedOcc 0
7 mol 113 unq 2 iso 1 dist 8.47541 9.72813 6.23759 7.80142 5.35711 7.41778 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 5.43728 11.2315 8.72359 3.47015 7.02963 14.3156 numMergedOcc 0
9 mol 135 unq 0 iso 1 dist 5.43728 3.47015 7.02963 11.2315 8.72359 14.3156 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.6793 7.06015 6.90583 6 6.75593 10.7858 numMergedOcc 0
11 mol 141 unq 0 iso 1 dist 7.6793 6 6.75593 7.06015 6.90583 10.7858 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 7.6793 7.06015 6.90583 8.90391 8.83562 13.6003 numMergedOcc 0
13 mol 141 unq 1 iso 1 dist 7.6793 8.90391 8.83562 7.06015 6.90583 13.6003 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 7.6793 6 6.75593 8.90391 8.83562 3.02458 numMergedOcc 0
15 mol 141 unq 1 iso 1 dist 7.6793 8.90391 8.83562 6 6.75593 3.02458 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 8.90876 7.13766 6.12453 7.29489 9.87447 5.29906 numMergedOcc 0
17 mol 168 unq 0 iso 1 dist 8.90876 7.29489 9.87447 7.13766 6.12453 5.29906 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 5.51388 3.89732 5.41121 7.16323 6.35799 7.75905 numMergedOcc 0
19 mol 169 unq 0 iso 1 dist 5.51388 7.16323 6.35799 3.89732 5.41121 7.75905 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 8.17917 7.68348 5.41121 3.69097 6.35799 7.75905 numMergedOcc 0
21 mol 169 unq 1 iso 1 dist 8.17917 3.69097 6.35799 7.68348 5.41121 7.75905 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 8.68909 7.61664 5.41121 10.1079 6.35799 7.75905 numMergedOcc 0
23 mol 169 unq 2 iso 1 dist 8.68909 10.1079 6.35799 7.61664 5.41121 7.75905 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 8.08939 15.1141 9.30179 3.62882 6.10489 11.6206 numMergedOcc 0
25 mol 244 unq 0 iso 1 dist 8.08939 3.62882 6.10489 15.1141 9.30179 11.6206 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 8.08939 15.1141 9.30179 7.8506 4.4204 9.66017 numMergedOcc 0
27 mol 244 unq 1 iso 1 dist 8.08939 7.8506 4.4204 15.1141 9.30179 9.66017 numMergedOcc 0
28 mol 244 unq 1 iso 0 dist 8.08939 3.62882 6.10489 7.8506 4.4204 5.86449 numMergedOcc 0
29 mol 244 unq 1 iso 1 dist 8.08939 7.8506 4.4204 3.62882 6.10489 5.86449 numMergedOcc 0
30 mol 244 unq 2 iso 0 dist 7.33574 12.1511 9.30179 5.2503 6.10489 11.6206 numMergedOcc 0
31 mol 244 unq 2 iso 1 dist 7.33574 5.2503 6.10489 12.1511 9.30179 11.6206 numMergedOcc 0
32 mol 244 unq 3 iso 0 dist 7.33574 12.1511 9.30179 3.66626 4.4204 9.66017 numMergedOcc 0
33 mol 244 unq 3 iso 1 dist 7.33574 3.66626 4.4204 12.1511 9.30179 9.66017 numMergedOcc 0
34 mol 244 unq 3 iso 0 dist 7.33574 5.2503 6.10489 3.66626 4.4204 5.86449 numMergedOcc 0
35 mol 244 unq 3 iso 1 dist 7.33574 3.66626 4.4204 5.2503 6.10489 5.86449 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 9.69704 7.8581 9.82605 8.46732 9.73723 5.00013 numMergedOcc 0
37 mol 253 unq 0 iso 1 dist 9.69704 8.46732 9.73723 7.8581 9.82605 5.00013 numMergedOcc 0
38 mol 260 unq 0 iso 0 dist 5.68717 3.48905 6.49413 3.43711 6.12343 5.97214 numMergedOcc 0
39 mol 260 unq 0 iso 1 dist 5.68717 3.43711 6.12343 3.48905 6.49413 5.97214 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 5.68717 3.48905 6.49413 8.84611 4.52405 8.11213 numMergedOcc 0
41 mol 260 unq 1 iso 1 dist 5.68717 8.84611 4.52405 3.48905 6.49413 8.11213 numMergedOcc 0
42 mol 260 unq 1 iso 0 dist 5.68717 3.43711 6.12343 8.84611 4.52405 8.76827 numMergedOcc 0
43 mol 260 unq 1 iso 1 dist 5.68717 8.84611 4.52405 3.43711 6.12343 8.76827 numMergedOcc 0
44 mol 285 unq 0 iso 0 dist 8.76332 9.4876 8.79261 11.4925 9.99125 4.87372 numMergedOcc 0
45 mol 285 unq 0 iso 1 dist 8.76332 11.4925 9.99125 9.4876 8.79261 4.87372 numMergedOcc 0
