0 mol 7 unq 0 iso 0 dist 9.58865 7.32392 8.54694 10.5949 13.0255 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.58865 7.32392 8.54694 5.59295 12.4285 6.44736 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.0323 7.15434 5.70161 10.7937 10.0459 8.72114 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.65729 8.4361 5.64581 5.06195 9.26933 6.62144 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.72314 9.28932 10.6695 5.2347 12.1438 7.12365 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 9.72314 6.83481 6.40527 5.2347 12.1438 8.1284 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 5.09324 11.7152 6.31696 numMergedOcc 0
7 mol 52 unq 1 iso 0 dist 6.86785 7.1203 6.55558 10.4823 12.2309 6.31696 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 5.78327 12.7098 9.81166 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 5.47738 7.2131 5.37007 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.87856 5.85841 6.83826 4.81103 4.94406 5.78706 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.87856 7.00285 9.94628 4.81103 4.94406 5.59328 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.2491 5.85841 9.30656 4.81103 7.2337 5.78706 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 6.2491 7.00285 5.39087 4.81103 7.2337 5.59328 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 3.59451 6.78839 9.30656 7.22196 7.2337 5.78706 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 3.59451 8.02354 5.39087 7.22196 7.2337 5.59328 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.07096 7.85527 11.2951 7.21894 11.9801 8.99399 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 5.61764 6.35314 5.31501 7.64039 10.922 6.96281 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 6.6081 7.76202 6.92879 7.74181 9.2657 7.47069 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 9.64304 6.03557 9.19339 6.46489 11.5759 7.73435 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 9.64304 6.03557 9.19339 8.27647 9.2657 9.3778 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.23583 12.4696 6.30546 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.51265 9.47675 10.4653 9.00056 8.35864 9.97343 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.02458 9.6281 9.44367 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 6.67598 9.19499 5.0966 15.8724 10.9903 9.47433 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 6.67598 7.11647 5.75141 5.02458 9.6281 7.90267 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 8.98636 9.19499 8.58765 5.02458 12.1713 9.44367 numMergedOcc 0
27 mol 156 unq 4 iso 0 dist 8.98636 9.19499 8.58765 15.8724 15.6251 9.47433 numMergedOcc 0
28 mol 156 unq 5 iso 0 dist 8.98636 7.11647 5.6208 5.02458 12.1713 7.90267 numMergedOcc 0
29 mol 156 unq 6 iso 0 dist 8.79185 9.19499 9.07974 5.02458 6.22667 9.44367 numMergedOcc 0
30 mol 156 unq 7 iso 0 dist 8.79185 9.19499 9.07974 15.8724 18.2332 9.47433 numMergedOcc 0
31 mol 156 unq 8 iso 0 dist 8.79185 7.11647 5.70205 5.02458 6.22667 7.90267 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 6.56225 10.0499 6.2479 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 8.03259 6.58792 5.07895 6.56225 10.0499 6.22122 numMergedOcc 0
34 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 5.78532 13.01 6.85935 numMergedOcc 0
35 mol 212 unq 0 iso 0 dist 6.41916 9.47932 9.7586 9.63106 11.1328 9.74144 numMergedOcc 0
36 mol 212 unq 1 iso 0 dist 6.41916 9.47932 9.7586 10.6561 15.1376 8.69988 numMergedOcc 0
37 mol 212 unq 2 iso 0 dist 6.41916 9.47932 9.7586 15.0782 17.6988 8.55903 numMergedOcc 0
38 mol 212 unq 3 iso 0 dist 6.41916 9.47932 9.7586 7.56072 11.1719 7.15603 numMergedOcc 0
39 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 9.83598 13.9215 6.98875 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 8.26695 5.82876 12.0757 4.48276 10.2662 7.46394 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 8.26695 8.71129 16.0765 4.48276 10.2662 7.1729 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 5.59151 5.82876 7.96313 4.48276 9.61642 7.46394 numMergedOcc 0
43 mol 274 unq 3 iso 0 dist 5.59151 8.71129 13.1879 4.48276 9.61642 7.1729 numMergedOcc 0
44 mol 274 unq 4 iso 0 dist 8.17922 5.82876 7.97998 4.48276 8.30714 7.46394 numMergedOcc 0
45 mol 274 unq 5 iso 0 dist 8.17922 8.71129 5.7745 4.48276 8.30714 7.1729 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 8.76889 5.70546 9.36068 4.99186 8.16582 7.23721 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 6.37469 5.70546 5.13535 4.99186 10.4934 7.23721 numMergedOcc 0
