0 mol 21 unq 0 iso 0 dist 8.7443 5.38502 5.92388 9.09983 9.08579 6.43942 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.72036 10.5856 8.81562 4.45291 8.25915 7.95541 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.83919 8.03958 6.87036 5.8449 8.98789 4.44247 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.51839 5.30715 7.93498 6.25934 9.2934 5.23555 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 4.98478 9.47481 10.1695 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.33923 10.001 8.11813 4.53184 7.36025 7.40992 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.01995 13.2228 9.35049 6.6767 6.30568 7.72261 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 9.81187 5.28982 8.79752 9.74655 7.69241 5.22451 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 4.67031 5.34777 8.79752 5.74134 7.69241 5.22451 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 9.49412 7.10023 8.79752 7.74105 7.69241 5.22451 numMergedOcc 0
10 mol 176 unq 3 iso 0 dist 8.98043 5.34777 7.29985 5.74134 7.77962 5.22451 numMergedOcc 0
11 mol 176 unq 4 iso 0 dist 8.77405 5.28982 7.58281 9.74655 8.6431 5.22451 numMergedOcc 0
12 mol 176 unq 5 iso 0 dist 6.8243 5.34777 7.58281 5.74134 8.6431 5.22451 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 4.42095 12.1121 9.81055 13.9253 9.60788 11.9612 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 4.63898 12.5858 9.81055 10.4232 9.60788 11.9612 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 9.53641 17.439 9.81055 14.7844 9.60788 11.9612 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 5.2116 6.07355 9.09279 6.46939 6.71152 12.4893 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 7.94753 5.4699 5.83039 13.5342 9.70628 8.16645 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 9.99046 5.4699 6.74364 13.5342 7.98511 8.16645 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 4.98907 5.83092 5.94328 9.47962 9.33223 5.52381 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 4.98907 5.09024 7.91978 9.47962 9.33223 6.0296 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.43884 6.58663 4.95415 6.10072 7.66814 9.62862 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 7.43884 7.56583 6.38519 6.10072 7.66814 5.25529 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 5.2862 12.6047 8.2236 5.61341 8.2474 15.479 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 5.31097 10.936 8.2236 5.28356 8.2474 15.479 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 9.15937 10.377 9.25289 5.49483 7.89784 12.618 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 9.15937 10.377 9.25289 9.80915 7.83983 6.84871 numMergedOcc 0
27 mol 292 unq 2 iso 0 dist 9.15937 14.8361 9.29687 5.49483 7.89784 16.1645 numMergedOcc 0
28 mol 292 unq 3 iso 0 dist 9.15937 14.8361 9.29687 9.80915 7.83983 6.27756 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 7.58948 4.06072 7.94656 11.5833 7.75936 10.5231 numMergedOcc 0
