0 mol 27 unq 0 iso 0 dist 5.66743 3.9551 7.18409 9.49066 9.52474 13.1397 11.6846 7.60283 14.335 7.50515 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.66743 5.10645 6.21163 9.49066 9.52474 4.75119 11.6846 7.60283 8.38749 7.50515 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.42669 10.978 7.18409 4.91484 9.52474 13.1397 8.05284 7.60283 14.335 7.50515 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.42669 5.00553 6.21163 4.91484 9.52474 4.75119 8.05284 7.60283 8.38749 7.50515 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.38047 4.94741 5.7405 6.76462 6.14538 10.4238 8.98505 6.30987 10.352 5.06052 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.85981 6.07317 9.78973 10.8619 7.16773 7.91078 4.62903 5.84875 4.86374 6.28202 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 10.3974 7.6481 6.82593 13.9007 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 9.80755 9.11258 15.7855 6.47744 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.18898 14.8919 7.44343 4.52119 6.95572 11.8037 10.8544 6.72712 6.12826 9.32974 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.18898 14.8919 7.44343 4.52119 6.95572 11.8037 10.4617 5.39745 5.02124 6.99832 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.16862 8.83212 5.80404 12.7925 9.22232 6.80292 4.49984 8.21165 10.546 12.0863 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.70325 11.075 5.80404 15.4258 9.22232 6.80292 6.16425 8.21165 10.546 12.0863 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.78469 8.34522 9.80549 6.4437 9.87644 5.42993 4.06022 8.00449 8.51234 4.29204 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.01453 7.89112 9.80549 5.91683 9.87644 5.42993 6.47962 8.00449 8.51234 4.29204 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.14629 7.8548 9.69399 7.91498 9.67741 12.5567 4.0737 7.80054 6.28495 6.36909 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 4.26276 5.59555 5.89971 4.62998 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 4.26276 5.59555 5.89971 7.23534 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 4.26276 5.59555 5.89971 4.62998 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 4.26276 5.59555 5.89971 7.23534 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 4.26276 5.59555 5.89971 4.62998 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 4.26276 5.59555 5.89971 7.23534 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.60049 9.93138 9.46421 6.94727 9.88863 7.70348 7.69175 5.7131 5.737 5.98906 numMergedOcc 0
