0 mol 15 unq 0 iso 0 dist 8.21493 7.07399 6.33828 9.03536 7.12903 11.7302 5.01321 8.96967 10.7313 5.55659 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.43442 9.53378 8.70414 5.48601 7.06308 10.862 5.54436 8.59109 5.55096 9.01651 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 9.43442 9.53378 8.70414 5.101 6.34173 10.6216 5.54436 8.59109 5.55096 6.89191 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 7.08557 9.33535 13.2397 6.75888 8.80108 8.71468 6.78077 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 8.63333 9.92355 12.0055 5.35073 8.89374 7.68678 10.6476 6.96494 17.9037 12.7331 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 8.63333 9.92355 12.0055 5.35073 8.89374 7.68678 5.92889 7.01363 13.7654 7.05413 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 8.63333 9.92355 12.0055 10.8153 6.46761 14.171 10.6476 6.96494 17.9037 8.74789 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.63333 9.92355 12.0055 10.8153 6.46761 14.171 5.92889 7.01363 13.7654 6.61756 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.63333 9.92355 12.0055 14.5953 9.73139 20.1318 10.6476 6.96494 17.9037 7.02095 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 8.63333 9.92355 12.0055 14.5953 9.73139 20.1318 5.92889 7.01363 13.7654 8.94672 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 8.89374 7.68678 12.0055 5.35073 8.63333 9.92355 12.7331 6.96494 17.9037 10.6476 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 8.89374 7.68678 12.0055 5.35073 8.63333 9.92355 7.05413 7.01363 13.7654 5.92889 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 8.89374 7.68678 12.0055 8.62958 6.46761 14.171 12.7331 6.96494 17.9037 8.74789 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 8.89374 7.68678 12.0055 8.62958 6.46761 14.171 7.05413 7.01363 13.7654 6.61756 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 8.89374 7.68678 12.0055 14.176 9.73139 20.1318 12.7331 6.96494 17.9037 7.02095 numMergedOcc 0
15 mol 58 unq 12 iso 0 dist 8.89374 7.68678 12.0055 14.176 9.73139 20.1318 7.05413 7.01363 13.7654 8.94672 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 5.36766 8.624 11.1896 9.0131 9.19459 13.1462 6.00418 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 8.71128 6.84011 9.23527 5.59517 7.52743 10.0237 9.2907 7.36816 10.1333 5.33327 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 10.6882 9.17284 10.9606 5.48883 6.51096 9.0529 6.3845 numMergedOcc 0
19 mol 155 unq 1 iso 0 dist 9.87281 8.69157 7.6506 4.66274 8.87452 10.8572 5.48883 6.51096 9.0529 5.77564 numMergedOcc 0
20 mol 155 unq 2 iso 0 dist 7.39644 6.53347 6.40403 10.7616 7.36102 10.3161 5.40375 7.37901 7.55196 6.34186 numMergedOcc 0
21 mol 155 unq 3 iso 0 dist 7.36102 7.92304 5.50045 10.7616 7.39644 11.1616 6.34186 7.37901 9.80845 5.40375 numMergedOcc 0
22 mol 155 unq 4 iso 0 dist 8.27111 8.69157 6.00473 4.66274 7.68368 10.8572 5.48883 8.73171 9.0529 5.77564 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 8.47155 6.30021 10.0003 5.76755 9.36805 9.47433 9.30783 6.90155 13.7525 7.29758 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 8.47155 6.30021 10.0003 7.60354 7.55203 13.0431 9.30783 6.90155 13.7525 4.53931 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 9.36805 9.44367 10.143 5.76755 8.47155 13.5699 7.29758 6.90155 5.81122 9.30783 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 9.36805 9.44367 10.143 8.38403 7.55203 10.3379 7.29758 6.90155 5.81122 4.53931 numMergedOcc 0
27 mol 156 unq 4 iso 0 dist 9.36805 9.47433 10.0003 5.76755 8.47155 6.30021 7.29758 6.90155 13.7525 9.30783 numMergedOcc 0
28 mol 156 unq 5 iso 0 dist 9.36805 9.47433 10.0003 8.38403 7.55203 13.0431 7.29758 6.90155 13.7525 4.53931 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 9.59129 7.37798 12.1116 13.7995 8.45368 16.5606 12.2579 8.74171 18.2483 11.1059 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 13.7995 8.45368 16.3542 12.2579 8.74171 9.1514 11.1059 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 7.83217 7.13323 10.8165 4.54272 8.57853 10.506 6.8949 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 7.17547 6.1951 7.21048 7.83217 7.13323 10.8165 10.2673 6.75035 13.3317 6.60235 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 4.96364 9.62952 12.3651 6.66754 9.86861 15.1077 5.82592 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.90142 7.57812 10.3147 5.40359 5.9216 10.1217 15.7973 8.70193 18.5467 10.438 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.90142 8.69104 15.6823 5.40359 5.9216 13.492 15.7973 8.70193 23.3584 10.438 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 8.14172 7.02333 4.38002 5.31152 6.77463 8.67864 5.68826 6.00721 7.04753 4.87097 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 6.77463 8.67864 4.38002 5.31152 8.14172 7.02333 4.87097 6.00721 7.04753 5.68826 numMergedOcc 0
