0 mol 69 unq 0 iso 0 dist 9.12408 3.48733 8.01304 7.73002 8.1114 5.1459 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 9.12408 7.53896 5.35373 7.73002 8.1114 4.8416 numMergedOcc 0
2 mol 69 unq 2 iso 0 dist 6.18328 5.86238 8.01304 5.31061 8.1114 5.1459 numMergedOcc 0
3 mol 69 unq 3 iso 0 dist 6.18328 6.62825 5.35373 5.31061 8.1114 4.8416 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.06918 12.7403 8.82184 9.17087 8.33704 5.34993 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.06918 12.7403 8.82184 5.33532 7.92394 10.0449 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 8.56968 15.6138 8.82184 12.189 8.33704 5.34993 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 8.56968 15.6138 8.82184 7.6455 7.92394 10.0449 numMergedOcc 0
8 mol 70 unq 4 iso 0 dist 7.70428 11.9324 8.82184 9.32366 8.33704 5.34993 numMergedOcc 0
9 mol 70 unq 5 iso 0 dist 7.70428 11.9324 8.82184 7.61147 7.92394 10.0449 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 8.32431 5.56565 6.60484 10.5413 8.36733 9.14885 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.94447 11.7007 8.55666 12.7099 6.81812 8.10801 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.94447 9.26549 8.45284 12.7099 6.81812 6.95438 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.94447 12.6498 7.77845 12.7099 6.81812 11.224 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 8.94447 18.0659 9.43828 12.7099 6.81812 9.14701 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 9.6785 13.853 9.31512 9.04668 6.96442 6.6622 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 9.6785 5.5081 8.40088 9.04668 6.96442 4.61737 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 7.09847 13.0531 9.03971 4.59843 9.52936 13.7762 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 7.09847 13.0531 9.03971 5.66847 9.15417 10.3465 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.20864 15.0598 6.29314 13.9921 6.95408 4.69605 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 9.20864 15.0598 6.29314 10.0058 9.57538 11.4163 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 9.20864 15.0598 6.29314 7.93019 9.2285 12.1429 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 9.20864 15.0598 6.29314 5.58057 7.58278 12.0164 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 6.58245 7.6839 9.47487 14.8922 8.99696 17.6057 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 6.31342 9.91306 4.90724 6.9955 5.50387 4.72643 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 6.31342 9.74362 7.01671 6.9955 5.50387 6.89806 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 5.34745 8.39255 9.13657 11.2101 9.43203 11.1704 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 7.99897 6.69492 9.13657 11.5105 9.43203 11.1704 numMergedOcc 0
28 mol 233 unq 2 iso 0 dist 8.98366 15.1659 9.13657 6.54297 9.43203 11.1704 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 7.54327 6.00606 5.99388 5.28657 6.16063 5.19951 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.89216 6.24744 6.21984 11.0676 6.91569 6.2683 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 8.39127 6.31237 8.33529 5.8982 8.50864 10.9904 numMergedOcc 0
32 mol 248 unq 1 iso 0 dist 7.96942 4.54692 8.33529 7.63032 8.50864 10.9904 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.18798 10.0015 7.97156 5.32305 8.12892 12.5085 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 8.75957 11.2974 6.61098 14.447 9.5784 15.2943 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 8.75957 14.3662 6.25794 14.447 9.5784 12.3535 numMergedOcc 0
