0 mol 10 unq 0 iso 0 dist 9.88507 9.97671 10.9227 11.04 5.59965 12.3901 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.39017 9.6451 10.772 12.4032 5.59965 15.0063 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.39017 5.8369 11.9147 12.4032 5.59965 16.4998 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 7.8304 6.5643 8.8862 4.47542 7.25951 10.2814 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 5.74567 6.5643 4.3591 4.47542 7.92012 10.2814 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 5.56687 9.54171 5.54542 6.76331 6.93197 12.0617 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 8.07997 5.42426 3.28726 12.7517 8.5315 10.3586 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.23202 8.38624 6.64571 5.74722 8.0543 9.42876 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.50475 9.55284 3.50984 12.3426 8.29857 5.7836 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.66163 7.33788 5.39812 11.2238 8.29857 11.3217 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.66163 9.74351 3.59761 11.2238 8.29857 11.3188 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.66163 7.36877 3.50984 11.2238 8.29857 5.7836 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 9.48288 8.52681 5.39812 15.6905 8.29857 11.3217 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 9.48288 9.98769 3.59761 15.6905 8.29857 11.3188 numMergedOcc 0
14 mol 48 unq 6 iso 0 dist 7.1796 9.21776 3.60121 11.0606 8.19993 11.2213 numMergedOcc 0
15 mol 48 unq 7 iso 0 dist 7.1796 6.89752 3.65036 11.0606 8.19993 5.82264 numMergedOcc 0
16 mol 48 unq 8 iso 0 dist 7.1796 6.85843 5.37655 11.0606 8.19993 11.342 numMergedOcc 0
17 mol 48 unq 9 iso 0 dist 9.16212 9.40291 3.60121 15.6648 8.19993 11.2213 numMergedOcc 0
18 mol 48 unq 10 iso 0 dist 9.16212 7.94814 5.37655 15.6648 8.19993 11.342 numMergedOcc 0
19 mol 48 unq 11 iso 0 dist 9.16212 9.55632 8.48119 15.6648 8.19993 13.6649 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 5.72627 6.64921 4.37918 4.39227 8.03296 8.84225 numMergedOcc 0
21 mol 79 unq 1 iso 0 dist 5.72627 6.64921 4.37918 8.32896 9.26979 6.72546 numMergedOcc 0
22 mol 79 unq 2 iso 0 dist 7.68741 6.64921 9.08423 4.39227 5.82754 8.84225 numMergedOcc 0
23 mol 79 unq 3 iso 0 dist 7.68741 6.64921 9.08423 8.32896 9.05679 6.72546 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 9.76351 6.64921 6.29733 16.5814 9.78384 13.6707 numMergedOcc 0
25 mol 79 unq 5 iso 0 dist 9.76351 6.64921 6.29733 4.39227 8.87742 8.84225 numMergedOcc 0
26 mol 79 unq 6 iso 0 dist 9.76351 6.64921 6.29733 8.32896 4.93468 6.72546 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 8.69945 8.24402 4.34681 14.3423 8.89417 12.5925 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 8.69945 8.24402 4.34681 8.76259 9.95255 11.4623 numMergedOcc 0
29 mol 93 unq 2 iso 0 dist 8.69945 7.14241 13.5809 14.3423 8.89417 19.9616 numMergedOcc 0
30 mol 93 unq 3 iso 0 dist 8.69945 7.14241 13.5809 8.76259 9.95255 13.2775 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 9.75061 7.34765 4.94367 8.25083 5.87084 8.47526 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 8.29782 9.73554 15.2115 4.71612 7.22518 14.2655 numMergedOcc 0
33 mol 171 unq 1 iso 0 dist 8.29782 9.73554 15.2115 5.66419 5.25109 10.2367 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.08557 8.76671 3.67187 7.314 9.92471 12.336 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 8.53237 8.35588 15.0132 4.93748 6.21159 13.1354 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 8.14859 7.97601 6.73951 14.4054 8.26288 14.9619 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 8.14859 7.97601 6.73951 9.72372 6.60053 10.8072 numMergedOcc 0
38 mol 192 unq 2 iso 0 dist 5.62421 7.97601 6.53644 9.72372 9.36796 10.8072 numMergedOcc 0
39 mol 226 unq 0 iso 0 dist 6.45143 9.84378 10.1956 4.66376 5.70795 13.0915 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 9.74449 7.44294 7.27053 10.3756 4.98734 9.23909 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 9.74449 7.44294 7.27053 13.5199 6.37963 9.66515 numMergedOcc 0
42 mol 256 unq 2 iso 0 dist 9.74449 7.44294 7.27053 6.37659 8.16803 10.8954 numMergedOcc 0
43 mol 256 unq 3 iso 0 dist 9.74449 9.62515 5.51548 10.3756 4.98734 10.1976 numMergedOcc 0
44 mol 256 unq 4 iso 0 dist 9.74449 9.62515 5.51548 13.5199 6.37963 11.0079 numMergedOcc 0
45 mol 256 unq 5 iso 0 dist 9.74449 9.62515 5.51548 6.37659 8.16803 10.3654 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 9.34312 6.39822 4.60397 14.8724 7.00243 10.6754 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 9.34312 5.36518 5.26919 14.8724 7.00243 10.0289 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 9.35976 9.07744 15.4432 10.7039 8.20644 16.7589 numMergedOcc 0
