0 mol 7 unq 0 iso 0 dist 9.45309 14.1165 6.7985 18.9688 9.68596 9.0379 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.45309 18.9688 9.68596 14.1165 6.7985 9.0379 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.13214 4.78012 5.99972 7.67025 9.68006 5.13353 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.13214 7.67025 9.68006 4.78012 5.99972 5.13353 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.89222 3.99573 6.46104 11.4986 7.36856 7.96502 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 7.89222 11.4986 7.36856 3.99573 6.46104 7.96502 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.43804 13.2064 6.7117 5.65902 4.47349 8.40073 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 7.43804 5.65902 4.47349 13.2064 6.7117 8.40073 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.43804 13.2064 6.7117 7.85074 5.65185 10.2427 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 7.43804 7.85074 5.65185 13.2064 6.7117 10.2427 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.43804 5.65902 4.47349 7.85074 5.65185 5.02887 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 7.43804 7.85074 5.65185 5.65902 4.47349 5.02887 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.79499 9.85867 7.80975 6.6854 7.10378 10.8586 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 8.79499 6.6854 7.10378 9.85867 7.80975 10.8586 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 7.95423 6.35416 9.08382 10.6822 9.3778 5.20403 numMergedOcc 0
15 mol 125 unq 0 iso 1 dist 7.95423 10.6822 9.3778 6.35416 9.08382 5.20403 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 7.95423 6.35416 9.08382 7.26964 7.47069 9.34412 numMergedOcc 0
17 mol 125 unq 1 iso 1 dist 7.95423 7.26964 7.47069 6.35416 9.08382 9.34412 numMergedOcc 0
18 mol 125 unq 1 iso 0 dist 7.95423 10.6822 9.3778 7.26964 7.47069 11.8325 numMergedOcc 0
19 mol 125 unq 1 iso 1 dist 7.95423 7.26964 7.47069 10.6822 9.3778 11.8325 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 9.96946 12.8587 9.72053 14.7321 7.7949 15.1532 numMergedOcc 0
21 mol 130 unq 0 iso 1 dist 9.96946 14.7321 7.7949 12.8587 9.72053 15.1532 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.35397 5.64577 9.97343 12.3864 9.70413 11.4307 numMergedOcc 0
23 mol 141 unq 0 iso 1 dist 6.35397 12.3864 9.70413 5.64577 9.97343 11.4307 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.51408 11.0773 7.36683 4.95483 9.26504 10.7531 numMergedOcc 0
25 mol 195 unq 0 iso 1 dist 8.51408 4.95483 9.26504 11.0773 7.36683 10.7531 numMergedOcc 0
26 mol 196 unq 0 iso 0 dist 6.67699 7.69186 6.70531 7.08535 6.86319 10.2747 numMergedOcc 0
27 mol 196 unq 0 iso 1 dist 6.67699 7.08535 6.86319 7.69186 6.70531 10.2747 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 9.20651 12.9835 8.80683 13.1572 6.11704 5.16662 numMergedOcc 0
29 mol 226 unq 0 iso 1 dist 9.20651 13.1572 6.11704 12.9835 8.80683 5.16662 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 5.87056 6.78651 7.43071 6.02375 6.02296 4.39704 numMergedOcc 0
31 mol 227 unq 0 iso 1 dist 5.87056 6.02375 6.02296 6.78651 7.43071 4.39704 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 9.55881 12.6389 7.43071 9.50847 6.02296 4.39704 numMergedOcc 0
33 mol 227 unq 1 iso 1 dist 9.55881 9.50847 6.02296 12.6389 7.43071 4.39704 numMergedOcc 0
34 mol 249 unq 0 iso 0 dist 9.68308 5.09262 5.48118 4.85486 7.25858 5.3927 numMergedOcc 0
35 mol 249 unq 0 iso 1 dist 9.68308 4.85486 7.25858 5.09262 5.48118 5.3927 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 9.58671 11.4295 8.00673 9.50272 6.62841 8.29447 numMergedOcc 0
37 mol 278 unq 0 iso 1 dist 9.58671 9.50272 6.62841 11.4295 8.00673 8.29447 numMergedOcc 0
38 mol 278 unq 1 iso 0 dist 8.60481 13.5463 8.00673 5.81569 6.62841 8.29447 numMergedOcc 0
39 mol 278 unq 1 iso 1 dist 8.60481 5.81569 6.62841 13.5463 8.00673 8.29447 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 9.52718 12.9284 8.91712 6.56751 9.65934 10.9208 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 9.52718 6.56751 9.65934 12.9284 8.91712 10.9208 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 9.52718 12.9284 8.91712 6.56751 9.65934 10.9208 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 9.52718 6.56751 9.65934 12.9284 8.91712 10.9208 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 9.52718 12.9284 8.91712 6.56751 9.65934 10.9208 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 9.52718 6.56751 9.65934 12.9284 8.91712 10.9208 numMergedOcc 0
