0 mol 27 unq 0 iso 0 dist 5.66743 3.9551 7.18409 9.49066 9.52474 13.1397 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.66743 5.10645 6.21163 9.49066 9.52474 4.75119 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.42669 10.978 7.18409 4.91484 9.52474 13.1397 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.42669 5.00553 6.21163 4.91484 9.52474 4.75119 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.38047 4.94741 5.7405 6.76462 6.14538 10.4238 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.85981 6.07317 9.78973 10.8619 7.16773 7.91078 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.84625 7.7624 7.88172 5.40367 8.80614 12.965 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.18898 14.8919 7.44343 4.52119 6.95572 11.8037 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.16862 8.83212 5.80404 12.7925 9.22232 6.80292 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.70325 11.075 5.80404 15.4258 9.22232 6.80292 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.78469 8.34522 9.80549 6.4437 9.87644 5.42993 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.01453 7.89112 9.80549 5.91683 9.87644 5.42993 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.14629 7.8548 9.69399 7.91498 9.67741 12.5567 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.15381 4.58247 6.69623 5.70669 8.07687 9.0689 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.15381 9.70849 6.21951 5.70669 8.07687 11.1236 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 7.13099 6.90398 9.30312 5.0241 7.59632 10.0509 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.4513 5.13031 9.05637 8.0303 6.59716 6.24624 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 7.81769 5.59816 6.64193 8.78003 7.48463 4.67731 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 7.66694 4.04961 6.64193 5.33327 7.48463 4.67731 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.04477 5.02367 9.61639 10.0275 8.80683 9.11816 numMergedOcc 0
20 mol 226 unq 1 iso 0 dist 7.04477 5.02367 9.61639 5.47434 6.11704 6.92489 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 7.83422 8.47021 6.23146 9.60401 9.05071 13.6402 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 8.42502 6.26246 5.62039 10.0582 9.20822 7.42147 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.58109 5.34664 4.68783 9.9244 5.48118 9.82483 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 6.58109 5.34664 4.68783 9.9973 7.25858 9.54906 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.3201 9.00704 9.14393 3.93713 7.16853 10.0289 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.76945 9.43452 8.9316 5.25853 8.91712 5.64519 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 7.76945 9.43452 8.9316 7.19628 9.65934 12.3119 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.60049 9.93138 9.46421 6.94727 9.88863 7.70348 numMergedOcc 0
