0 mol 0 unq 0 iso 0 dist 6.99594 14.1874 8.31596 15.7423 9.15248 6.80636 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.99594 7.65884 6.3267 9.42137 10.3034 9.23213 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.16743 4.81384 6.26865 7.46102 4.85329 8.33604 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.77049 6.67398 7.2199 12.8762 11.4878 8.47421 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.95341 9.03359 7.2199 13.0231 11.4878 8.47421 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 6.61158 11.2204 8.96967 11.4555 5.51916 9.78051 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 9.19658 8.05284 8.11206 16.4314 10.1814 9.77484 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.68726 5.85924 6.5096 10.7681 5.3525 6.71911 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.72151 4.4449 8.06829 10.2675 4.94316 9.80142 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 6.98838 7.10144 7.71582 9.72689 5.90098 8.66514 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 6.98838 9.32959 6.65776 9.72689 5.90098 9.25235 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 8.7215 6.03855 6.50017 14.2144 9.02292 8.36733 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.58063 10.3316 6.40036 12.5192 10.2377 7.76729 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.9344 6.2062 5.99299 10.8427 9.58627 7.92688 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.16944 5.10076 6.51096 6.7973 4.9093 7.16254 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 9.16944 5.10076 6.51096 10.6879 6.3437 9.14392 numMergedOcc 0
16 mol 155 unq 2 iso 0 dist 8.02593 5.92486 7.37901 15.767 13.5062 9.86313 numMergedOcc 0
17 mol 155 unq 3 iso 0 dist 8.02593 5.92486 7.37901 12.6683 8.27726 7.51198 numMergedOcc 0
18 mol 155 unq 4 iso 0 dist 8.77391 9.36845 7.37901 15.1572 13.5062 9.86313 numMergedOcc 0
19 mol 155 unq 5 iso 0 dist 8.77391 9.36845 7.37901 11.1867 8.27726 7.51198 numMergedOcc 0
20 mol 155 unq 6 iso 0 dist 7.62575 4.40049 7.37901 4.44292 5.40375 7.39644 numMergedOcc 0
21 mol 155 unq 7 iso 0 dist 7.62575 4.40049 7.37901 10.6076 6.34186 7.36102 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.45395 7.58472 8.20656 14.039 6.80228 9.6668 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.15368 4.24915 8.20656 12.9138 6.80228 9.6668 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 9.20477 5.70246 8.20656 11.7479 6.80228 9.6668 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 5.41368 7.58472 9.40622 14.039 11.6919 9.6668 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 7.96182 4.24915 9.40622 12.9138 11.6919 9.6668 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 7.90237 5.70246 9.40622 11.7479 11.6919 9.6668 numMergedOcc 0
28 mol 187 unq 0 iso 0 dist 8.26654 5.94354 7.01496 9.36086 6.62321 9.27478 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 7.90156 5.85592 6.75035 13.162 7.47048 8.53199 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 9.74324 10.5623 7.27958 14.8362 10.6981 8.21247 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 8.19915 5.85485 7.27958 9.80261 6.43692 5.65339 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 7.77265 7.69259 9.1101 12.1318 6.55284 8.61104 numMergedOcc 0
33 mol 243 unq 1 iso 0 dist 9.65322 7.69259 8.93338 12.1318 10.5389 8.61104 numMergedOcc 0
34 mol 243 unq 2 iso 0 dist 6.9453 4.12468 8.93338 10.8489 10.5389 8.61104 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 8.76013 6.41275 8.39167 7.82003 10.4895 8.25349 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 8.62431 5.95459 8.49866 6.55855 14.168 9.19234 numMergedOcc 0
37 mol 293 unq 0 iso 0 dist 9.95532 4.47568 6.33356 14.3002 8.15509 9.97212 numMergedOcc 0
