0 mol 4 unq 0 iso 0 dist 9.31285 8.66947 12.04 8.60134 14.3737 11.1776 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.66947 9.31285 12.04 8.60134 11.1776 14.3737 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.81762 5.32149 7.14832 8.1133 10.6667 4.59668 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 5.32149 8.81762 7.14832 8.1133 4.59668 10.6667 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.81762 5.32149 7.14832 8.44727 6.75472 5.67577 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 5.32149 8.81762 7.14832 8.44727 5.67577 6.75472 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 7.15015 3.68549 5.5577 8.3224 9.67807 6.54878 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 3.68549 7.15015 5.5577 8.3224 6.54878 9.67807 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.15015 3.68549 5.5577 8.71602 4.06512 5.62773 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 3.68549 7.15015 5.5577 8.71602 5.62773 4.06512 numMergedOcc 0
10 mol 30 unq 2 iso 0 dist 7.15015 3.68549 5.5577 7.54379 6.29623 4.20285 numMergedOcc 0
11 mol 30 unq 2 iso 1 dist 3.68549 7.15015 5.5577 7.54379 4.20285 6.29623 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 9.20886 7.07356 5.84044 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 9.39178 5.48831 5.82403 9.20886 5.84044 7.07356 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 9.29446 5.8992 11.5966 8.56119 9.76194 5.7558 numMergedOcc 0
15 mol 78 unq 0 iso 1 dist 5.8992 9.29446 11.5966 8.56119 5.7558 9.76194 numMergedOcc 0
16 mol 89 unq 0 iso 0 dist 8.85873 7.3606 6.88931 7.02228 6.13636 4.16955 numMergedOcc 0
17 mol 89 unq 0 iso 1 dist 7.3606 8.85873 6.88931 7.02228 4.16955 6.13636 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.90775 8.49531 14.3902 7.84956 7.45908 10.2496 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 8.49531 7.90775 14.3902 7.84956 10.2496 7.45908 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 7.90775 8.49531 14.3902 8.57607 4.99174 16.6518 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 8.49531 7.90775 14.3902 8.57607 16.6518 4.99174 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 7.90775 8.49531 14.3902 6.1991 4.46005 13.1525 numMergedOcc 0
23 mol 95 unq 2 iso 1 dist 8.49531 7.90775 14.3902 6.1991 13.1525 4.46005 numMergedOcc 0
24 mol 95 unq 3 iso 0 dist 7.90775 8.49531 14.3902 5.96246 8.28518 7.26851 numMergedOcc 0
25 mol 95 unq 3 iso 1 dist 8.49531 7.90775 14.3902 5.96246 7.26851 8.28518 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.31276 5.79157 11.6064 7.96353 15.3018 10.7951 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 5.79157 8.31276 11.6064 7.96353 10.7951 15.3018 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.31276 5.50687 13.7309 7.96353 15.3018 5.4761 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 5.50687 8.31276 13.7309 7.96353 5.4761 15.3018 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.31276 7.30919 14.069 7.96353 15.3018 5.03507 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 7.30919 8.31276 14.069 7.96353 5.03507 15.3018 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 5.79157 5.50687 7.09823 7.96353 10.7951 5.4761 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 5.50687 5.79157 7.09823 7.96353 5.4761 10.7951 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 5.79157 7.30919 8.25185 7.96353 10.7951 5.03507 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 7.30919 5.79157 8.25185 7.96353 5.03507 10.7951 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 5.50687 7.30919 6.90348 7.96353 5.4761 5.03507 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 7.30919 5.50687 6.90348 7.96353 5.03507 5.4761 numMergedOcc 0
38 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 8.59532 4.55687 13.5599 numMergedOcc 0
39 mol 154 unq 0 iso 1 dist 7.34207 6.44195 9.41666 8.59532 13.5599 4.55687 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 6.0639 6.91355 6.85436 9.16579 7.38602 4.26355 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 6.91355 6.0639 6.85436 9.16579 4.26355 7.38602 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 6.0639 6.91355 6.85436 8.95209 11.6282 10.5033 numMergedOcc 0
43 mol 186 unq 1 iso 1 dist 6.91355 6.0639 6.85436 8.95209 10.5033 11.6282 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 5.82039 6.22964 7.08143 9.36144 7.89575 5.14674 numMergedOcc 0
45 mol 206 unq 0 iso 1 dist 6.22964 5.82039 7.08143 9.36144 5.14674 7.89575 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 6.32302 6.88694 5.57838 9.90415 5.70473 7.22525 numMergedOcc 0
47 mol 229 unq 0 iso 1 dist 6.88694 6.32302 5.57838 9.90415 7.22525 5.70473 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 6.32302 6.88694 5.57838 6.92268 4.17276 4.92403 numMergedOcc 0
49 mol 229 unq 1 iso 1 dist 6.88694 6.32302 5.57838 6.92268 4.92403 4.17276 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 7.30349 6.17213 10.9352 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 9.61741 6.95233 13.0015 7.30349 10.9352 6.17213 numMergedOcc 0
52 mol 266 unq 1 iso 0 dist 6.95233 5.61056 7.49927 7.30349 6.17213 4.0027 numMergedOcc 0
53 mol 266 unq 1 iso 1 dist 5.61056 6.95233 7.49927 7.30349 4.0027 6.17213 numMergedOcc 0
54 mol 266 unq 1 iso 0 dist 9.61741 5.61056 7.0568 7.30349 10.9352 4.0027 numMergedOcc 0
55 mol 266 unq 1 iso 1 dist 5.61056 9.61741 7.0568 7.30349 4.0027 10.9352 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 9.22453 11.2997 4.40029 numMergedOcc 0
57 mol 277 unq 0 iso 1 dist 8.53324 7.151 7.69449 9.22453 4.40029 11.2997 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 7.151 7.23956 11.8268 9.22453 11.2997 3.97543 numMergedOcc 0
59 mol 277 unq 1 iso 1 dist 7.23956 7.151 11.8268 9.22453 3.97543 11.2997 numMergedOcc 0
60 mol 277 unq 1 iso 0 dist 8.53324 7.23956 7.08227 9.22453 4.40029 3.97543 numMergedOcc 0
61 mol 277 unq 1 iso 1 dist 7.23956 8.53324 7.08227 9.22453 3.97543 4.40029 numMergedOcc 0
