0 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 6.95803 9.2146 12.2603 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 6.76158 16.4255 4.3475 9.2146 8.53424 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.77719 7.423 16.0765 4.3475 9.2146 7.08766 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.77719 5.89257 13.6412 4.3475 9.2146 4.82199 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.48283 6.0827 3.73834 5.4275 7.16844 4.46067 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 5.5308 5.45099 7.66068 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.65006 5.61831 3.35924 10.5881 8.44765 9.5043 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 5.65006 5.61831 3.35924 9.74852 9.06643 8.34132 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 7.15918 7.30934 5.4118 4.3421 7.62463 5.24346 numMergedOcc 0
9 mol 107 unq 0 iso 0 dist 8.2411 4.99934 5.88785 10.9097 7.91251 8.88124 numMergedOcc 0
10 mol 107 unq 1 iso 0 dist 8.2411 4.99934 5.88785 4.34186 9.09262 8.19484 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.77567 7.71959 5.12696 13.8682 8.60651 12.5349 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.65328 8.47439 10.919 4.18108 7.0961 5.28353 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 8.65328 8.47439 10.919 3.6038 8.26768 10.3204 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 5.69346 8.47439 6.65321 4.18108 6.53038 5.28353 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 5.87263 6.18165 3.18152 6.5732 7.65903 5.10589 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 5.87263 6.18165 3.18152 4.14139 5.97653 4.63336 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 5.87263 6.18165 3.18152 7.73206 7.75523 6.10715 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 8.29433 9.75417 11.8178 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.05978 6.18239 3.52598 3.52029 6.31365 7.83056 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 7.42359 8.35328 7.66826 6.56644 9.53137 4.55853 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 6.54521 7.22473 7.35802 7.91474 7.49606 8.62655 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 6.54521 6.02628 9.94995 7.91474 7.49606 11.9844 numMergedOcc 0
23 mol 260 unq 2 iso 0 dist 7.97307 7.13397 8.04546 8.90225 8.51564 9.66527 numMergedOcc 0
24 mol 260 unq 3 iso 0 dist 7.97307 5.33278 3.68866 8.90225 8.51564 6.48099 numMergedOcc 0
25 mol 260 unq 4 iso 0 dist 8.52702 7.13397 15.6308 4.38276 9.73217 8.62655 numMergedOcc 0
26 mol 260 unq 5 iso 0 dist 8.52702 5.33278 10.6938 4.38276 9.73217 9.01781 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.61768 6.9943 3.68488 7.98379 7.72861 10.9313 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.61768 6.9943 3.68488 4.58167 8.20376 6.96692 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.61768 7.36685 3.14784 7.98379 7.72861 7.8598 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 6.61768 7.36685 3.14784 4.58167 8.20376 8.25286 numMergedOcc 0
31 mol 266 unq 4 iso 0 dist 6.61768 9.03099 5.95721 7.98379 7.72861 7.80711 numMergedOcc 0
32 mol 266 unq 5 iso 0 dist 6.61768 9.03099 5.95721 4.58167 8.20376 9.9965 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 9.69757 5.13533 7.98956 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.37164 7.96707 7.98095 7.52677 6.22311 10.5724 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 7.37164 7.96707 7.98095 7.52677 6.22311 10.5724 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.37164 7.96707 7.98095 7.52677 6.22311 10.5724 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 8.51266 7.61675 12.6536 5.92057 9.56933 13.0701 numMergedOcc 0
