0 mol 7 unq 0 iso 0 dist 9.45309 15.3646 8.02892 14.1165 6.7985 5.38502 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.45309 15.3646 8.02892 18.9688 9.68596 7.39982 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 5.80623 8.21453 7.18409 9.1735 9.52474 13.1397 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 5.80623 6.8422 6.21163 9.1735 9.52474 4.75119 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 7.24775 14.1996 7.18409 10.6901 9.52474 13.1397 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 7.24775 10.2292 6.21163 10.6901 9.52474 4.75119 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 5.0478 10.6593 5.7405 6.43082 6.14538 10.4238 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 7.52378 11.0121 9.78973 9.16445 7.16773 7.91078 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.79499 6.7387 9.1593 9.85867 7.80975 12.3004 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.79499 6.7387 9.1593 6.6854 7.10378 10.9755 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 7.95423 11.8492 9.2657 6.35416 9.08382 9.67381 numMergedOcc 0
11 mol 125 unq 1 iso 0 dist 7.95423 11.8492 9.2657 10.6822 9.3778 9.19339 numMergedOcc 0
12 mol 125 unq 2 iso 0 dist 7.95423 11.8492 9.2657 7.26964 7.47069 6.92879 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.35397 5.49686 8.35864 5.64577 9.97343 10.4653 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.35397 5.49686 8.35864 12.3864 9.70413 15.1845 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.93807 10.8805 9.69399 5.89138 9.67741 12.5567 numMergedOcc 0
16 mol 196 unq 0 iso 0 dist 6.67699 10.6599 9.47404 7.69186 6.70531 5.61672 numMergedOcc 0
17 mol 196 unq 1 iso 0 dist 6.67699 10.6599 9.47404 7.08535 6.86319 14.9157 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 9.20651 18.1288 9.61639 12.9835 8.80683 9.11816 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 9.20651 18.1288 9.61639 13.1572 6.11704 6.92489 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 5.87056 9.22288 8.61546 6.78651 7.43071 14.5234 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 5.87056 9.22288 8.61546 6.02375 6.02296 13.552 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 9.55881 10.3528 8.61546 12.6389 7.43071 14.5234 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 9.55881 10.3528 8.61546 9.50847 6.02296 13.552 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.03226 10.6594 9.43474 5.65307 7.10685 5.0871 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 9.68308 13.3058 4.68783 5.09262 5.48118 9.82483 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 9.68308 13.3058 4.68783 4.85486 7.25858 9.54906 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.37358 10.6703 8.16582 5.65983 7.23721 9.36068 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 9.52718 15.6724 8.9316 12.9284 8.91712 5.64519 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 9.52718 15.6724 8.9316 6.56751 9.65934 12.3119 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.52718 15.6724 8.9316 12.9284 8.91712 5.64519 numMergedOcc 0
31 mol 288 unq 1 iso 0 dist 9.52718 15.6724 8.9316 6.56751 9.65934 12.3119 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 9.52718 15.6724 8.9316 12.9284 8.91712 5.64519 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 9.52718 15.6724 8.9316 6.56751 9.65934 12.3119 numMergedOcc 0
