0 mol 17 unq 0 iso 0 dist 8.48453 8.80499 5.14154 12.9838 9.78331 12.567 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 6.10173 7.21955 12.0481 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.52969 7.15486 10.6169 6.10173 7.21955 12.3035 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 10.728 7.38135 18.9856 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 10.6075 6.84011 10.0237 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.75558 4.93035 6.21253 9.62363 9.97343 11.0743 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 9.7168 7.38138 8.05787 6.57631 9.99156 12.1227 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 9.7168 7.38138 8.05787 8.40891 8.18085 11.2961 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 9.61132 7.34423 8.10457 6.56068 9.8656 12.1516 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 9.61132 7.34423 8.10457 8.32178 7.94889 11.2313 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 5.95655 6.30021 9.47433 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.80643 7.39961 5.76755 11.7605 9.44367 13.5699 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 7.80643 7.39961 5.76755 5.95655 9.47433 6.30021 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 4.75774 5.9176 11.602 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.96824 9.25528 11.9017 9.91956 6.41453 17.1805 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 15.4597 8.90963 14.7352 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 15.254 9.68728 20.9634 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.32652 7.92766 12.5143 7.65133 9.1458 14.1279 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 6.82185 6.82881 5.45334 10.6201 7.37798 11.8877 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 5.50169 7.73322 8.14332 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 6.82881 6.82185 5.45334 5.50169 8.14332 7.73322 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 5.3192 6.1951 10.8165 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.93637 7.96424 13.4403 12.5597 6.59716 14.6002 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.93637 5.40366 6.55533 12.5597 6.59716 8.90237 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.2527 7.13194 10.0191 10.0472 7.57812 9.24557 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.2527 7.13194 10.0191 10.0651 8.69104 12.9364 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.13194 7.2527 10.0191 10.0472 9.24557 7.57812 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 9.29203 7.62771 5.40359 13.6806 7.57812 10.1217 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 9.29203 7.62771 5.40359 16.2617 8.69104 13.492 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 9.29203 7.80166 10.0191 13.6806 7.57812 9.24557 numMergedOcc 0
30 mol 238 unq 6 iso 0 dist 9.29203 7.80166 10.0191 16.2617 8.69104 12.9364 numMergedOcc 0
31 mol 238 unq 7 iso 0 dist 7.80166 9.29203 10.0191 13.6806 9.24557 7.57812 numMergedOcc 0
32 mol 238 unq 8 iso 0 dist 7.80166 7.62771 10.1648 13.6806 9.24557 10.1217 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 6.42827 6.93507 8.34718 5.74889 5.48118 10.0024 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 10.451 7.98231 11.6972 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 10.451 7.98231 7.08526 numMergedOcc 0
36 mol 259 unq 2 iso 0 dist 9.47382 6.49599 6.96053 10.451 7.08526 7.98231 numMergedOcc 0
37 mol 259 unq 3 iso 0 dist 9.47382 9.34738 7.64658 10.451 7.08526 11.6972 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 9.27402 9.26573 5.87439 15.7062 9.33437 7.8343 numMergedOcc 0
39 mol 284 unq 1 iso 0 dist 9.26573 9.27402 5.87439 15.7062 7.8343 9.33437 numMergedOcc 0
