0 mol 20 unq 0 iso 0 dist 9.78431 5.9566 6.54552 7.58687 4.36087 4.8515 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.78431 5.9566 6.54552 5.14626 7.09639 3.51645 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.49404 8.06363 9.03541 6.23313 8.85286 12.2619 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.31272 10.679 7.95815 5.19478 8.29196 6.29782 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 9.06787 18.2881 9.31516 4.50355 9.32314 17.6735 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.76815 5.98831 6.37273 11.2448 8.19932 5.37935 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.65006 13.2269 9.3711 5.5308 5.45099 10.1475 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 5.65006 13.2269 9.3711 10.5881 8.44765 4.4828 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 5.65006 13.2269 9.3711 9.74852 9.06643 7.00476 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.17687 5.61624 8.89939 3.37256 9.54696 5.92952 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 8.17687 5.61624 8.89939 6.27386 4.62636 9.79253 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 7.15918 4.77259 8.48639 4.3421 7.62463 3.78122 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 9.27894 5.05933 7.77953 10.358 7.71625 5.4863 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.31404 10.6213 7.11411 10.2525 5.95801 3.82773 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.31404 10.6213 7.11411 14.7938 9.92715 9.09917 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 9.19254 10.4685 9.95076 5.67773 8.91326 4.95423 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.09756 6.28015 9.82338 6.14958 9.17458 5.56574 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.09756 6.28015 9.82338 5.87342 7.36794 7.76011 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.44523 6.28015 7.99933 6.14958 6.94594 5.56574 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 7.44523 6.28015 7.99933 5.87342 5.81881 7.76011 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.79613 4.86004 5.07975 13.8153 8.88902 12.2754 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 7.42359 11.9134 8.07313 6.56644 9.53137 12.5873 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.76085 5.62156 5.81865 3.92859 7.80473 7.56859 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 8.76085 8.86253 8.25457 3.92859 7.80473 4.98901 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 8.52702 12.6808 7.88296 4.38276 9.73217 13.6008 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.20902 9.93994 8.18813 9.69757 5.13533 11.5613 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.98589 11.3539 8.18813 5.00704 5.13533 11.5613 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.75982 9.49731 8.16952 3.72284 8.62266 7.53916 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.75982 14.1169 9.67649 3.72284 8.62266 12.077 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 9.51394 4.62662 9.94851 5.28038 4.93516 7.24849 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.51394 4.62662 9.94851 5.28038 4.93516 7.24849 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 9.51394 4.62662 9.94851 5.28038 4.93516 7.24849 numMergedOcc 0
