0 mol 10 unq 0 iso 0 dist 9.88507 11.04 5.59965 12.8824 9.43029 4.99208 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.39017 12.4032 5.59965 12.2644 6.18431 3.92592 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.39017 12.4032 5.59965 11.1245 9.07726 5.53712 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 9.52857 10.1802 5.76024 11.7488 9.90835 5.21529 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.52857 11.8349 7.92714 11.7488 9.90835 9.7731 numMergedOcc 0
5 mol 12 unq 2 iso 0 dist 9.52857 13.1322 8.47217 11.7488 9.90835 5.41989 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.37378 7.11548 6.03257 4.64441 6.23015 5.20798 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.23202 5.74722 8.0543 9.43025 5.96231 10.324 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 6.65867 9.66932 8.97364 4.70443 6.63448 5.85676 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.33546 9.40625 9.78384 4.0291 7.43127 9.51372 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.76351 16.5814 9.78384 14.463 9.77084 3.99035 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.76351 16.5814 9.78384 13.9245 6.5551 4.53016 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.76351 4.39227 8.87742 14.463 9.77084 12.2375 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 9.76351 4.39227 8.87742 13.9245 6.5551 13.1414 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 9.76351 8.32896 4.93468 14.463 9.77084 6.69352 numMergedOcc 0
15 mol 79 unq 6 iso 0 dist 9.76351 8.32896 4.93468 13.9245 6.5551 6.0749 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 9.52206 7.00155 8.89417 11.819 7.28831 11.7638 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 9.52206 9.45154 9.95255 11.819 7.28831 5.93472 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.69945 14.3423 8.89417 4.85981 7.28831 11.7638 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 8.69945 8.76259 9.95255 4.85981 7.28831 5.93472 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.75061 8.25083 5.87084 9.35007 7.75314 6.11089 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.81111 11.3783 6.75376 17.0137 9.27009 6.93828 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 5.66405 11.3783 9.10042 3.60945 6.65731 14.0725 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 5.66405 11.1002 9.75059 3.60945 6.65731 13.1981 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 5.66405 5.63251 6.83404 3.60945 6.65731 3.98068 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 8.29782 4.71612 7.22518 13.7415 9.34834 14.0016 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 8.29782 4.71612 7.22518 10.2105 5.74846 11.4302 numMergedOcc 0
27 mol 171 unq 2 iso 0 dist 8.29782 5.66419 5.25109 13.7415 9.34834 10.0655 numMergedOcc 0
28 mol 171 unq 3 iso 0 dist 8.29782 5.66419 5.25109 10.2105 5.74846 4.88147 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 8.90567 8.96857 8.86197 4.6383 9.88897 5.3698 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 8.90567 6.03835 5.94379 4.6383 9.88897 9.56782 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 9.2933 5.10499 7.22883 15.7604 8.12266 14.2282 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 9.2933 5.10499 7.22883 9.35605 9.43306 10.273 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 9.2933 5.10499 7.22883 5.66304 8.59681 5.14966 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 7.08557 7.314 9.92471 6.36032 8.06308 5.42414 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 8.14859 14.4054 8.26288 8.06606 9.40971 11.3394 numMergedOcc 0
36 mol 192 unq 1 iso 0 dist 8.14859 9.72372 6.60053 8.06606 9.40971 5.80651 numMergedOcc 0
37 mol 192 unq 2 iso 0 dist 5.62421 9.72372 9.36796 8.06606 9.8428 5.80651 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 9.0515 13.1553 9.62455 11.793 8.48879 5.40367 numMergedOcc 0
39 mol 196 unq 1 iso 0 dist 9.0515 13.1553 9.62455 10.1127 5.89591 11.2785 numMergedOcc 0
40 mol 196 unq 2 iso 0 dist 9.0515 13.1553 9.62455 13.3826 9.72376 17.7382 numMergedOcc 0
41 mol 220 unq 0 iso 0 dist 5.75839 9.70769 9.73541 4.4227 9.23863 10.7405 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 9.16554 11.4694 7.16346 5.53908 7.85836 8.43367 numMergedOcc 0
43 mol 273 unq 1 iso 0 dist 9.16554 11.4694 7.16346 8.8839 6.35532 3.78984 numMergedOcc 0
44 mol 273 unq 2 iso 0 dist 9.65597 4.73332 7.16346 11.7146 7.85836 8.43367 numMergedOcc 0
45 mol 273 unq 3 iso 0 dist 9.65597 4.73332 7.16346 7.90253 6.35532 3.78984 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.35976 10.7039 8.20644 13.1828 9.26157 16.0346 numMergedOcc 0
