0 mol 0 unq 0 iso 0 dist 7.65806 7.46173 6.50942 9.67081 8.29174 8.05095 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 9.61998 7.72775 7.49157 8.66248 4.48908 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 9.61998 7.72775 7.73794 6.73521 5.73289 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.34347 7.47201 9.49511 7.98005 12.5438 13.859 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.34347 7.47201 9.49511 8.31381 8.39015 14.2723 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.80331 6.79185 11.1338 9.02471 12.6657 11.9382 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.20293 6.79185 5.54797 9.02471 14.0654 11.9382 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 9.80098 5.75761 6.55615 6.22221 8.88455 8.15965 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 7.34143 5.75761 9.64358 6.22221 9.53385 8.15965 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.8178 8.96978 8.39969 4.86198 5.21565 9.59421 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 8.96978 4.45372 4.86198 10.7434 9.59421 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.70481 6.43377 7.9151 7.37171 15.1432 12.7614 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 9.07128 10.8406 10.2678 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.36773 6.066 6.81076 6.65615 4.47193 7.1811 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 8.31336 9.36032 6.81076 5.07548 4.47193 7.1811 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.86073 8.57673 5.05071 9.59585 13.0914 17.4221 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 5.86073 8.57673 5.05071 9.7073 12.5818 14.9096 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 8.14887 5.72373 10.2773 5.39356 10.2024 3.76048 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 8.14887 5.72373 10.2773 9.92746 5.4328 12.308 numMergedOcc 0
19 mol 127 unq 2 iso 0 dist 9.30299 5.72373 10.7123 5.39356 12.7606 3.76048 numMergedOcc 0
20 mol 127 unq 3 iso 0 dist 9.30299 5.72373 10.7123 9.92746 12.6193 12.308 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 7.7059 7.19937 10.8443 5.77186 6.85721 4.14654 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 8.29467 6.13927 10.8158 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 8.29467 13.2274 10.8158 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 4.51255 7.83734 7.29429 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 6.16342 6.8597 9.26426 4.43499 4.32238 5.93732 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.21521 9.12664 5.41499 9.64778 6.19721 10.3077 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 8.29103 9.72168 12.0476 4.80903 5.08421 12.6385 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 9.83622 4.24652 4.66257 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 7.56915 6.93875 8.83823 9.83622 4.24652 11.6391 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 7.56915 6.0868 9.51441 9.83622 4.24652 13.2973 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 7.56915 6.32856 11.5556 9.83622 4.24652 14.8955 numMergedOcc 0
32 mol 274 unq 4 iso 0 dist 8.49997 6.92434 8.58007 9.83622 7.38951 4.66257 numMergedOcc 0
33 mol 274 unq 5 iso 0 dist 8.49997 6.93875 5.66046 9.83622 7.38951 11.6391 numMergedOcc 0
34 mol 274 unq 6 iso 0 dist 8.49997 6.0868 10.1323 9.83622 7.38951 13.2973 numMergedOcc 0
35 mol 274 unq 7 iso 0 dist 8.49997 6.32856 13.5073 9.83622 7.38951 14.8955 numMergedOcc 0
