0 mol 26 unq 0 iso 0 dist 7.10804 14.4334 8.65828 15.2306 8.36742 4.28862 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 14.4334 8.65828 13.3615 8.10028 4.93643 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.64424 8.23892 8.65828 8.82979 8.36742 4.28862 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.64424 8.23892 8.65828 3.63999 8.10028 4.93643 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 10.9344 5.75809 8.89273 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.32784 11.7002 8.99724 10.9344 5.75809 8.10455 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.10681 6.10527 4.50643 8.3237 9.36493 9.45561 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 9.10681 6.10527 4.50643 11.3659 9.0665 8.57695 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 9.10681 6.10527 4.50643 15.0854 7.07773 9.30664 numMergedOcc 0
9 mol 36 unq 0 iso 0 dist 9.57176 5.81511 6.63518 11.721 7.00857 6.28198 numMergedOcc 0
10 mol 37 unq 0 iso 0 dist 7.47638 4.87451 6.84257 3.96491 8.5893 6.15909 numMergedOcc 0
11 mol 37 unq 1 iso 0 dist 7.47638 12.8406 9.21102 3.96491 8.5893 12.5114 numMergedOcc 0
12 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 5.05915 8.82943 10.8914 numMergedOcc 0
13 mol 39 unq 1 iso 0 dist 7.95922 11.0291 8.76925 5.05915 8.82943 13.1234 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 8.06519 4.69243 8.87951 3.42062 7.32699 5.81633 numMergedOcc 0
15 mol 54 unq 0 iso 0 dist 8.80303 9.66182 9.96522 10.3901 7.62814 4.04498 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 4.22514 4.11549 6.29755 11.8083 9.63616 15.2635 numMergedOcc 0
17 mol 54 unq 2 iso 0 dist 4.22514 8.12687 7.4038 11.8083 9.63616 16.9039 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 7.16429 10.4404 8.49115 12.8944 9.98298 8.84888 numMergedOcc 0
19 mol 83 unq 1 iso 0 dist 7.16429 10.4404 8.49115 10.4765 7.55036 4.18675 numMergedOcc 0
20 mol 83 unq 2 iso 0 dist 7.16429 10.4404 8.49115 6.73998 8.32248 7.23248 numMergedOcc 0
21 mol 96 unq 0 iso 0 dist 9.63062 9.09553 9.06717 6.0108 7.68964 9.28941 numMergedOcc 0
22 mol 96 unq 1 iso 0 dist 9.63062 12.9876 9.579 6.0108 7.68964 9.9118 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 8.87984 16.6598 7.88143 9.40876 8.73798 13.2666 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 8.87984 12.958 6.62952 9.40876 8.73798 8.734 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 9.0584 12.958 4.3521 9.40876 5.24616 8.734 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 5.50402 9.75267 9.49584 9.50148 9.50762 5.57954 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 5.50402 9.75267 9.49584 10.2696 7.57472 15.0685 numMergedOcc 0
28 mol 151 unq 0 iso 0 dist 8.70668 10.3714 7.93343 10.689 8.16646 8.30893 numMergedOcc 0
29 mol 151 unq 1 iso 0 dist 8.70668 8.25671 5.89468 10.689 8.16646 10.4799 numMergedOcc 0
30 mol 172 unq 0 iso 0 dist 9.40213 11.0444 5.28889 6.2666 7.3485 9.6831 numMergedOcc 0
31 mol 172 unq 1 iso 0 dist 9.40213 9.70426 4.90175 6.2666 7.3485 7.16279 numMergedOcc 0
32 mol 172 unq 2 iso 0 dist 8.75042 7.0455 5.28889 11.7152 7.3485 9.6831 numMergedOcc 0
33 mol 172 unq 3 iso 0 dist 8.75042 12.33 4.90175 11.7152 7.3485 7.16279 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 8.45309 4.62365 8.49577 10.5062 9.511 6.83738 numMergedOcc 0
35 mol 184 unq 1 iso 0 dist 8.45309 4.62365 8.49577 8.57356 7.72354 4.57656 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 8.25961 10.2069 9.53639 6.41178 5.22629 4.93324 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 9.26044 5.22517 8.92121 11.2097 7.14918 11.6389 numMergedOcc 0
38 mol 239 unq 1 iso 0 dist 9.26044 5.22517 8.92121 6.10489 9.29322 10.1445 numMergedOcc 0
39 mol 241 unq 0 iso 0 dist 4.66398 10.4606 8.00841 11.3639 9.87415 8.58146 numMergedOcc 0
40 mol 241 unq 1 iso 0 dist 9.05448 5.2107 8.00841 6.51662 9.87415 8.58146 numMergedOcc 0
41 mol 249 unq 0 iso 0 dist 6.23348 6.0731 5.70674 4.76162 5.7671 4.49386 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 7.22085 6.34679 8.96253 4.0358 9.90119 4.1492 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.92578 6.42452 7.79173 3.53612 7.70811 6.93195 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 5.15432 9.70626 8.51994 3.75969 5.76793 6.55422 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 5.15432 9.70626 8.51994 11.1754 7.72276 6.12997 numMergedOcc 0
46 mol 279 unq 2 iso 0 dist 8.2375 4.37055 8.51994 3.72823 5.76793 6.55422 numMergedOcc 0
47 mol 279 unq 3 iso 0 dist 8.2375 4.37055 8.51994 9.62805 7.72276 6.12997 numMergedOcc 0
48 mol 279 unq 4 iso 0 dist 9.23951 5.46911 8.51994 6.22298 5.76793 6.55422 numMergedOcc 0
49 mol 279 unq 5 iso 0 dist 9.23951 5.46911 8.51994 8.30922 7.72276 6.12997 numMergedOcc 0
50 mol 283 unq 0 iso 0 dist 7.11407 4.88654 6.53354 9.8348 9.33601 9.76279 numMergedOcc 0
51 mol 283 unq 1 iso 0 dist 7.11407 11.4035 6.93798 9.8348 9.33601 7.97597 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 numMergedOcc 0
53 mol 287 unq 1 iso 0 dist 8.85872 9.44841 7.58907 5.39384 8.36585 4.96187 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 numMergedOcc 0
55 mol 288 unq 1 iso 0 dist 8.85872 9.44841 7.58907 5.39384 8.36585 4.96187 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 numMergedOcc 0
57 mol 289 unq 1 iso 0 dist 8.85872 9.44841 7.58907 5.39384 8.36585 4.96187 numMergedOcc 0
