0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 7.15287 13.8674 8.41585 9.96415 13.1033 6.88805 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.0166 6.22805 5.70161 6.96396 12.2471 7.10621 11.1727 12.6104 7.12508 6.1206 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.0166 6.22805 5.70161 6.96396 12.2471 7.10621 13.8869 16.4488 11.143 7.67927 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.32945 6.22805 4.57188 6.96396 10.2729 7.10621 11.1727 8.78074 7.12508 6.1206 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.32945 6.22805 4.57188 6.96396 10.2729 7.10621 13.8869 11.9986 11.143 7.67927 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 11.1727 5.07985 7.12508 6.1206 numMergedOcc 0
6 mol 7 unq 6 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 13.8869 6.83196 11.143 7.67927 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 12.8674 6.04677 9.81307 8.43054 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 9.54864 8.8058 6.0993 12.5818 11.8302 6.43294 12.3852 10.0895 8.62476 7.57295 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 10.0675 13.4395 8.7531 12.3852 10.0895 8.62476 8.4312 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 13.3196 18.525 5.43561 7.82475 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 11.3211 16.7332 6.30222 5.35782 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 4.99061 6.49205 6.18601 10.7143 8.22696 4.39676 8.95212 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 7.09664 12.0527 8.70949 9.67398 9.69908 4.97996 6.93139 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 6.3915 9.32441 5.99315 12.82 15.3853 13.1926 7.36975 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 6.68364 5.30872 5.4432 6.3915 9.32441 5.99315 9.84746 12.4579 7.39837 5.40637 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 12.5935 11.5992 7.63312 17.7213 15.0124 10.6474 6.64173 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.47689 9.63295 5.16386 12.5935 11.5992 7.63312 8.39573 5.71744 5.93724 9.01624 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.47689 9.63295 5.16386 12.5935 11.5992 7.63312 11.1521 6.42494 5.12833 9.55105 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 5.36326 3.56689 5.13732 8.08349 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 5.36326 11.4272 5.13732 8.08349 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 9.67162 4.8226 4.66414 8.23087 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.74214 7.98022 6.62361 6.3873 9.31417 5.72887 14.5078 13.338 7.06793 9.72188 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 5.33462 7.98022 5.96552 6.3873 5.56719 5.72887 14.5078 12.046 7.06793 9.72188 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 15.148 9.90573 8.8603 9.07743 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 13.0667 12.7528 7.20604 9.63573 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 15.148 9.90573 8.8603 7.66153 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 12.0417 11.1402 6.53701 11.3818 7.42656 4.90315 6.02353 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 11.3818 7.42656 4.90315 6.86234 numMergedOcc 0
