0 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 6.21616 3.83262 6.86055 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.15471 8.59049 9.30655 9.45103 5.7598 12.9201 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.0346 9.00543 9.81889 9.03138 3.85975 13.2426 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 4.80247 9.77018 10.6193 7.89184 3.54989 12.2324 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 4.80247 9.77018 10.6193 5.91948 4.67834 6.15355 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.37449 6.62246 4.80624 8.8326 5.34337 5.31985 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.52666 6.62246 6.80777 8.8326 10.8827 5.31985 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 4.79891 6.40382 7.03983 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.09751 8.96916 12.7068 5.30117 6.55074 6.30222 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.30117 6.55074 5.47563 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.75402 7.76202 5.87414 9.93888 6.26399 4.45456 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 8.46972 9.14454 6.28232 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.00896 6.54987 4.8408 6.41759 7.45747 5.91192 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 7.21779 7.15087 9.15453 5.90339 4.65943 4.67662 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 4.62366 8.34737 8.32419 6.91511 4.65363 4.55687 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 4.62366 8.5163 6.47339 6.91511 4.65363 4.6764 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 8.14405 10.5172 4.91785 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 5.31916 5.81697 7.05804 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.18749 7.75485 5.95421 5.31916 5.81697 4.54188 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 8.3932 9.72183 4.17276 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.86281 5.00457 6.36273 8.3932 9.72183 4.92403 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.75366 4.87108 10.3683 5.41453 4.70535 6.82305 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.75366 7.64276 10.313 5.41453 4.70535 5.71717 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 9.38914 8.83156 5.36857 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 5.54217 9.64575 4.97852 9.53331 5.97699 8.86494 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 6.16546 4.06908 4.90315 numMergedOcc 0
