0 mol 0 unq 0 iso 0 dist 9.92758 7.96742 10.5215 5.55156 7.88507 11.962 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.92758 7.19397 11.744 5.55156 7.88507 6.83587 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 8.4435 7.15734 5.7208 6.77563 7.12113 5.32128 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.25201 8.41173 6.46764 6.22892 4.83427 6.3027 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.84065 9.00925 7.85915 8.89145 7.433 5.7343 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 6.84065 9.00925 7.85915 6.92865 10.7778 11.3728 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 8.88058 7.66311 6.09608 8.91266 5.49061 7.00835 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 9.70414 7.95419 7.91247 9.06397 5.82783 5.27155 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.25999 8.14932 5.05903 8.66921 7.66905 9.82646 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 8.25999 6.17846 5.43707 8.66921 7.66905 5.33496 numMergedOcc 0
10 mol 66 unq 0 iso 0 dist 9.0201 6.85819 5.76688 8.31793 6.68547 5.57361 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 7.41911 7.19203 5.23849 7.14865 6.13436 9.51008 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.86521 7.67341 9.95303 8.93552 5.24229 11.909 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 8.86521 7.67341 9.95303 8.35604 10.7649 5.39296 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 7.77423 7.9663 8.93743 9.05626 9.86628 9.97628 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.33117 9.6582 11.4162 5.97805 14.2734 12.6081 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.33117 5.17734 12.4049 5.97805 14.2734 5.26273 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.45935 7.53834 6.51929 6.98781 5.14109 7.24951 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.14478 7.60912 5.31784 8.55431 8.60459 8.50143 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 6.03275 5.97008 10.8436 8.84671 8.40757 8.75092 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.20806 9.08767 6.59534 9.08672 7.68986 5.17355 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.87588 7.57716 8.15043 9.85951 9.47501 9.86723 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.87588 8.98362 10.4154 9.85951 9.47501 6.80494 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.27538 7.62593 6.27118 4.79841 5.25583 5.41021 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.32977 5.92175 3.4689 7.47238 6.64614 4.90814 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.50474 8.34832 17.1878 9.27989 14.3464 11.4465 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.08059 9.07452 5.44831 6.21831 5.55557 6.57235 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.08059 7.21004 9.91966 6.21831 5.55557 4.97216 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 8.04439 6.12202 4.84163 9.81087 10.9553 7.96313 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 7.76689 8.14494 7.93109 8.28881 13.8743 12.431 numMergedOcc 0
30 mol 276 unq 1 iso 0 dist 7.76689 8.14494 7.93109 5.30976 6.33662 9.95911 numMergedOcc 0
31 mol 276 unq 2 iso 0 dist 7.07283 8.14494 6.3939 8.28881 7.16212 12.431 numMergedOcc 0
32 mol 276 unq 3 iso 0 dist 7.07283 8.14494 6.3939 5.30976 9.58401 9.95911 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.06324 8.57035 5.52492 5.17586 5.31331 6.03718 numMergedOcc 0
