0 mol 26 unq 0 iso 0 dist 7.10804 14.7616 8.62527 14.4334 8.65828 4.21886 15.2306 8.36742 3.30063 4.28862 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 14.7616 8.62527 14.4334 8.65828 4.21886 13.3615 8.10028 8.44515 4.93643 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.64424 11.0672 8.62527 8.23892 8.65828 4.21886 8.82979 8.36742 3.30063 4.28862 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.64424 11.0672 8.62527 8.23892 8.65828 4.21886 3.63999 8.10028 8.44515 4.93643 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.32784 8.14466 7.43758 6.11529 8.24422 4.24515 10.9344 5.75809 5.35996 8.89273 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.32784 8.14466 7.43758 11.7002 8.99724 5.03315 10.9344 5.75809 5.35996 8.10455 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.10681 5.27829 5.68877 6.10527 4.50643 5.70643 8.3237 9.36493 5.22301 9.45561 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 9.10681 5.27829 5.68877 6.10527 4.50643 5.70643 11.3659 9.0665 9.36704 8.57695 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 9.10681 5.27829 5.68877 6.10527 4.50643 5.70643 15.0854 7.07773 12.1168 9.30664 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 4.11549 6.29755 14.1632 11.8083 9.63616 2.97898 15.2635 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 4.22514 10.5752 8.34361 8.12687 7.4038 15.4599 11.8083 9.63616 2.97898 16.9039 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 7.16429 11.3005 7.88704 10.4404 8.49115 10.1307 12.8944 9.98298 3.71967 8.84888 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 7.16429 11.3005 7.88704 10.4404 8.49115 10.1307 10.4765 7.55036 6.15397 4.18675 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 7.16429 11.3005 7.88704 10.4404 8.49115 10.1307 6.73998 8.32248 13.8225 7.23248 numMergedOcc 0
14 mol 83 unq 3 iso 0 dist 7.16429 6.54776 6.55352 10.4404 8.49115 4.05107 12.8944 9.98298 8.67453 8.84888 numMergedOcc 0
15 mol 83 unq 4 iso 0 dist 7.16429 6.54776 6.55352 10.4404 8.49115 4.05107 10.4765 7.55036 4.7741 4.18675 numMergedOcc 0
16 mol 83 unq 5 iso 0 dist 7.16429 6.54776 6.55352 10.4404 8.49115 4.05107 6.73998 8.32248 5.61725 7.23248 numMergedOcc 0
17 mol 83 unq 6 iso 0 dist 7.16429 6.98135 9.05437 10.4404 8.49115 10.8153 12.8944 9.98298 16.9252 8.84888 numMergedOcc 0
18 mol 83 unq 7 iso 0 dist 7.16429 6.98135 9.05437 10.4404 8.49115 10.8153 10.4765 7.55036 12.9907 4.18675 numMergedOcc 0
19 mol 83 unq 8 iso 0 dist 7.16429 6.98135 9.05437 10.4404 8.49115 10.8153 6.73998 8.32248 3.91658 7.23248 numMergedOcc 0
20 mol 83 unq 9 iso 0 dist 7.16429 4.31442 9.00625 10.4404 8.49115 13.7522 12.8944 9.98298 16.7395 8.84888 numMergedOcc 0
21 mol 83 unq 10 iso 0 dist 7.16429 4.31442 9.00625 10.4404 8.49115 13.7522 10.4765 7.55036 14.1991 4.18675 numMergedOcc 0
22 mol 83 unq 11 iso 0 dist 7.16429 4.31442 9.00625 10.4404 8.49115 13.7522 6.73998 8.32248 8.33755 7.23248 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 12.958 4.3521 6.38409 9.40876 5.24616 9.39313 8.734 numMergedOcc 0
24 mol 151 unq 0 iso 0 dist 8.70668 11.2259 9.39452 10.3714 7.93343 15.0568 10.689 8.16646 8.95545 8.30893 numMergedOcc 0
25 mol 151 unq 1 iso 0 dist 8.70668 11.2259 9.39452 8.25671 5.89468 14.3657 10.689 8.16646 8.95545 10.4799 numMergedOcc 0
26 mol 172 unq 0 iso 0 dist 9.40213 11.0523 8.2809 11.0444 5.28889 4.73085 6.2666 7.3485 8.78717 9.6831 numMergedOcc 0
27 mol 172 unq 1 iso 0 dist 9.40213 11.0523 8.2809 9.70426 4.90175 12.2355 6.2666 7.3485 8.78717 7.16279 numMergedOcc 0
28 mol 172 unq 2 iso 0 dist 8.75042 9.39946 8.2809 7.0455 5.28889 4.73085 11.7152 7.3485 8.78717 9.6831 numMergedOcc 0
29 mol 172 unq 3 iso 0 dist 8.75042 9.39946 8.2809 12.33 4.90175 12.2355 11.7152 7.3485 8.78717 7.16279 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 8.25961 3.63541 7.44436 10.2069 9.53639 6.68842 6.41178 5.22629 3.4982 4.93324 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 10.4606 8.00841 8.94039 11.3639 9.87415 8.48642 8.58146 numMergedOcc 0
32 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 5.2107 8.00841 8.94039 6.51662 9.87415 8.48642 8.58146 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 5.15432 9.33832 7.35799 9.70626 8.51994 12.7379 3.75969 5.76793 11.2104 6.55422 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 5.15432 9.33832 7.35799 9.70626 8.51994 12.7379 11.1754 7.72276 9.14234 6.12997 numMergedOcc 0
35 mol 279 unq 2 iso 0 dist 8.2375 13.7765 7.35799 4.37055 8.51994 12.7379 3.72823 5.76793 11.2104 6.55422 numMergedOcc 0
36 mol 279 unq 3 iso 0 dist 8.2375 13.7765 7.35799 4.37055 8.51994 12.7379 9.62805 7.72276 9.14234 6.12997 numMergedOcc 0
37 mol 279 unq 4 iso 0 dist 9.23951 11.1553 7.35799 5.46911 8.51994 12.7379 6.22298 5.76793 11.2104 6.55422 numMergedOcc 0
38 mol 279 unq 5 iso 0 dist 9.23951 11.1553 7.35799 5.46911 8.51994 12.7379 8.30922 7.72276 9.14234 6.12997 numMergedOcc 0
39 mol 283 unq 0 iso 0 dist 7.11407 3.85698 9.69083 4.88654 6.53354 6.50939 9.8348 9.33601 13.6006 9.76279 numMergedOcc 0
40 mol 283 unq 1 iso 0 dist 7.11407 3.85698 9.69083 11.4035 6.93798 14.2956 9.8348 9.33601 13.6006 7.97597 numMergedOcc 0
41 mol 283 unq 2 iso 0 dist 7.11407 7.85589 5.96202 4.88654 6.53354 4.89148 9.8348 9.33601 6.35533 9.76279 numMergedOcc 0
42 mol 283 unq 3 iso 0 dist 7.11407 7.85589 5.96202 11.4035 6.93798 4.01355 9.8348 9.33601 6.35533 7.97597 numMergedOcc 0
43 mol 283 unq 4 iso 0 dist 7.11407 10.1709 9.55068 4.88654 6.53354 5.57192 9.8348 9.33601 13.9497 9.76279 numMergedOcc 0
44 mol 283 unq 5 iso 0 dist 7.11407 10.1709 9.55068 11.4035 6.93798 9.29592 9.8348 9.33601 13.9497 7.97597 numMergedOcc 0
