0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 8.95357 8.20058 8.45916 16.6906 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 8.95357 8.20058 8.45916 14.9411 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 13.9089 15.3546 9.56639 19.2 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 6.93876 8.66265 13.2483 5.16581 10.9983 5.62688 11.5034 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 15.1383 16.4532 9.78762 17.5462 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 11.1108 8.05602 4.79891 12.0507 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 11.1108 8.05602 4.79891 4.72129 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 11.1108 8.05602 4.79891 12.0339 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 9.17639 8.05602 4.79891 12.0507 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 9.17639 8.05602 4.79891 4.72129 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 9.17639 8.05602 4.79891 12.0339 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 7.12319 8.84523 7.22752 14.7654 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 8.56696 6.23966 8.46972 5.16275 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 8.56696 6.23966 8.46972 6.65856 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 5.76927 9.77934 9.58844 7.21973 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 7.43264 12.0942 7.84418 13.4254 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 12.1402 16.6431 6.92823 18.3698 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 6.45821 11.7367 7.61739 11.2593 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 4.61429 9.73411 5.31916 14.1073 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 4.61429 9.73411 5.31916 9.81806 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 4.61429 9.73411 5.31916 5.99647 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 4.61429 10.1632 5.31916 8.98459 numMergedOcc 0
22 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 4.61429 10.1632 5.31916 9.81806 numMergedOcc 0
23 mol 224 unq 5 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 4.61429 10.1632 5.31916 5.99647 numMergedOcc 0
24 mol 224 unq 6 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 4.61429 7.75485 5.31916 5.99647 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 5.12308 4.87108 5.41453 7.45873 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 12.746 20.1985 9.40401 18.7317 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 10.9845 15.5036 5.64169 16.3635 numMergedOcc 0
