0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 5.07985 6.1206 7.12508 6.83196 7.67927 11.143 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.21217 6.09254 7.10621 6.83196 7.67927 11.143 5.07985 6.1206 7.12508 4.80709 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.5945 8.09311 11.6226 17.5782 9.05357 13.1949 9.95274 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.90845 9.59761 8.86116 17.5782 9.05357 13.1949 10.5945 8.09311 11.6226 9.95274 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.89489 8.38394 10.5945 8.09311 6.17155 17.5782 9.05357 10.3122 9.95274 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.90845 9.89489 8.38394 17.5782 9.05357 10.3122 10.5945 8.09311 6.17155 9.95274 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 10.2341 8.01308 5.86526 6.20884 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 9.56737 11.5882 6.35756 10.2341 8.01308 5.86526 5.04521 8.96727 9.87158 6.20884 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 6.27749 5.63638 8.90863 4.44758 9.95132 8.27828 7.32774 7.48086 7.80499 8.42811 numMergedOcc 0
9 mol 60 unq 0 iso 1 dist 6.27749 5.63638 8.90863 7.32774 7.48086 7.80499 4.44758 9.95132 8.27828 8.42811 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 10.4255 6.29161 6.73011 14.5244 7.86666 13.0886 7.49425 numMergedOcc 0
11 mol 109 unq 0 iso 1 dist 8.21889 5.5332 7.34473 14.5244 7.86666 13.0886 10.4255 6.29161 6.73011 7.49425 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.29026 11.5533 8.54584 4.79473 5.51197 12.1739 10.1802 8.86944 5.63254 9.74141 numMergedOcc 0
13 mol 129 unq 0 iso 1 dist 6.29026 11.5533 8.54584 10.1802 8.86944 5.63254 4.79473 5.51197 12.1739 9.74141 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 6.29026 11.5533 8.54584 4.79473 5.51197 12.1739 5.04019 6.69691 8.26896 5.94312 numMergedOcc 0
15 mol 129 unq 1 iso 1 dist 6.29026 11.5533 8.54584 5.04019 6.69691 8.26896 4.79473 5.51197 12.1739 5.94312 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.29026 11.5533 8.54584 10.1802 8.86944 5.63254 5.04019 6.69691 8.26896 5.35495 numMergedOcc 0
17 mol 129 unq 1 iso 1 dist 6.29026 11.5533 8.54584 5.04019 6.69691 8.26896 10.1802 8.86944 5.63254 5.35495 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.23267 7.81207 4.67662 13.4776 7.18002 13.5913 13.4681 numMergedOcc 0
19 mol 142 unq 0 iso 1 dist 7.57458 13.1936 9.2313 13.4776 7.18002 13.5913 9.23267 7.81207 4.67662 13.4681 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 9.23267 7.81207 5.81599 13.4776 7.18002 9.99555 13.4681 numMergedOcc 0
21 mol 142 unq 1 iso 1 dist 7.57458 12.288 7.73169 13.4776 7.18002 9.99555 9.23267 7.81207 5.81599 13.4681 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 7.57458 14.2067 8.96657 9.23267 7.81207 11.1 13.4776 7.18002 6.52253 13.4681 numMergedOcc 0
23 mol 142 unq 2 iso 1 dist 7.57458 14.2067 8.96657 13.4776 7.18002 6.52253 9.23267 7.81207 11.1 13.4681 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 9.83062 8.9192 4.84714 3.55572 numMergedOcc 0
25 mol 152 unq 0 iso 1 dist 8.89982 13.2491 8.56324 9.83062 8.9192 4.84714 9.0696 6.59889 5.39112 3.55572 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 15.1289 6.74196 8.84507 13.6078 8.36842 6.02502 8.10209 numMergedOcc 0
27 mol 222 unq 0 iso 1 dist 8.7347 8.81265 6.00706 13.6078 8.36842 6.02502 15.1289 6.74196 8.84507 8.10209 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 15.1289 6.74196 8.84507 13.6261 9.75472 5.18677 9.49218 numMergedOcc 0
29 mol 222 unq 1 iso 1 dist 8.7347 8.81265 6.00706 13.6261 9.75472 5.18677 15.1289 6.74196 8.84507 9.49218 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 13.6078 8.36842 6.02502 13.6261 9.75472 5.18677 3.53707 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 8.7347 8.81265 6.00706 13.6261 9.75472 5.18677 13.6078 8.36842 6.02502 3.53707 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 8.7347 4.28891 7.54212 15.1289 6.74196 12.8595 13.6078 8.36842 12.5866 8.10209 numMergedOcc 0
33 mol 222 unq 2 iso 1 dist 8.7347 4.28891 7.54212 13.6078 8.36842 12.5866 15.1289 6.74196 12.8595 8.10209 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 8.7347 4.28891 7.54212 15.1289 6.74196 12.8595 13.6261 9.75472 11.9567 9.49218 numMergedOcc 0
35 mol 222 unq 3 iso 1 dist 8.7347 4.28891 7.54212 13.6261 9.75472 11.9567 15.1289 6.74196 12.8595 9.49218 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 8.7347 4.28891 7.54212 13.6078 8.36842 12.5866 13.6261 9.75472 11.9567 3.53707 numMergedOcc 0
37 mol 222 unq 3 iso 1 dist 8.7347 4.28891 7.54212 13.6261 9.75472 11.9567 13.6078 8.36842 12.5866 3.53707 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.58006 5.71237 7.88519 12.7528 9.63573 7.20604 9.90573 7.66153 8.8603 10.3051 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 9.58006 5.71237 7.88519 9.90573 7.66153 8.8603 12.7528 9.63573 7.20604 10.3051 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 9.58006 9.10984 7.84554 12.7528 9.63573 5.05362 9.90573 7.66153 5.8801 10.3051 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 9.58006 9.10984 7.84554 9.90573 7.66153 5.8801 12.7528 9.63573 5.05362 10.3051 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.58006 11.8501 7.46176 12.7528 9.63573 5.21606 9.90573 7.66153 11.8896 10.3051 numMergedOcc 0
43 mol 259 unq 2 iso 1 dist 9.58006 11.8501 7.46176 9.90573 7.66153 11.8896 12.7528 9.63573 5.21606 10.3051 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 9.58006 13.9868 9.18903 12.7528 9.63573 7.46841 9.90573 7.66153 5.81576 10.3051 numMergedOcc 0
45 mol 259 unq 3 iso 1 dist 9.58006 13.9868 9.18903 9.90573 7.66153 5.81576 12.7528 9.63573 7.46841 10.3051 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 7.80863 6.95511 11.6988 3.51848 numMergedOcc 0
47 mol 259 unq 4 iso 1 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 7.06301 5.85442 10.067 3.51848 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 8.51268 9.35539 11.4555 13.3706 8.9682 17.6038 16.9644 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 6.90434 13.2927 9.7748 13.3706 8.9682 17.6038 8.51268 9.35539 11.4555 16.9644 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 6.90434 13.2927 9.7748 8.51268 9.35539 11.4555 12.1739 6.92711 14.772 15.8851 numMergedOcc 0
51 mol 277 unq 1 iso 1 dist 6.90434 13.2927 9.7748 12.1739 6.92711 14.772 8.51268 9.35539 11.4555 15.8851 numMergedOcc 0
52 mol 277 unq 1 iso 0 dist 6.90434 13.2927 9.7748 13.3706 8.9682 17.6038 12.1739 6.92711 14.772 3.39114 numMergedOcc 0
53 mol 277 unq 1 iso 1 dist 6.90434 13.2927 9.7748 12.1739 6.92711 14.772 13.3706 8.9682 17.6038 3.39114 numMergedOcc 0
