0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 6.7985 5.82034 6.14469 9.0379 6.28925 5.03847 9.68596 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.28925 5.03847 6.04832 9.68596 5.82034 6.14469 9.0379 7.5706 8.43473 6.7985 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.70159 13.8829 6.04832 12.9581 5.82034 6.14469 15.4949 7.5706 8.43473 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.70159 13.8829 6.04832 12.9581 5.82034 6.14469 13.2247 6.28925 5.03847 9.68596 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 15.8319 12.0297 7.35972 24.908 20.2749 16.147 9.62394 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 7.47838 9.55673 8.99816 15.8319 12.0297 9.93542 24.908 20.2749 19.4709 9.62394 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 7.876 4.29582 9.41935 7.48342 6.25997 6.03257 11.7498 11.4081 10.1154 6.42748 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 8.63502 8.72342 9.41935 11.2317 6.25997 6.03257 16.3521 11.4081 10.1154 6.42748 numMergedOcc 0
8 mol 15 unq 2 iso 0 dist 8.63502 8.72342 9.41935 11.2317 6.25997 6.03257 5.17568 7.876 4.29582 7.48342 numMergedOcc 0
9 mol 17 unq 0 iso 0 dist 8.07518 5.12703 5.64906 12.567 8.85817 7.92012 5.14154 9.50162 4.03817 9.78331 numMergedOcc 0
10 mol 20 unq 0 iso 0 dist 9.8099 10.0815 6.85224 12.3294 4.53009 4.74809 16.5895 9.67192 8.96335 6.09764 numMergedOcc 0
11 mol 20 unq 1 iso 0 dist 9.8099 10.0815 6.85224 7.51452 5.095 5.86181 16.5895 9.67192 8.96335 9.20198 numMergedOcc 0
12 mol 20 unq 2 iso 0 dist 9.8099 13.457 8.04657 12.3294 4.53009 7.43882 16.5895 9.67192 6.05944 6.09764 numMergedOcc 0
13 mol 20 unq 3 iso 0 dist 9.8099 13.457 8.04657 7.51452 5.095 6.3253 16.5895 9.67192 6.05944 9.20198 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.48658 8.70803 9.81484 5.9465 6.60364 6.77241 5.04493 11.6447 8.87994 6.97962 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.48658 8.70803 9.81484 5.9465 6.60364 6.77241 9.35561 7.20279 7.52639 9.95342 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.48658 9.52327 5.77527 5.9465 6.60364 5.50508 5.04493 11.6447 11.641 6.97962 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.48658 9.52327 5.77527 5.9465 6.60364 5.50508 9.35561 7.20279 7.34683 9.95342 numMergedOcc 0
18 mol 92 unq 4 iso 0 dist 7.20279 7.52639 9.81484 9.95342 6.60364 6.77241 9.35561 7.48658 8.70803 5.9465 numMergedOcc 0
19 mol 92 unq 5 iso 0 dist 7.20279 7.52639 9.81484 9.95342 6.60364 6.77241 12.7769 11.6447 8.87994 6.97962 numMergedOcc 0
20 mol 92 unq 6 iso 0 dist 7.20279 7.34683 5.77527 9.95342 6.60364 5.50508 9.35561 7.48658 9.52327 5.9465 numMergedOcc 0
21 mol 92 unq 7 iso 0 dist 7.20279 7.34683 5.77527 9.95342 6.60364 5.50508 12.7769 11.6447 11.641 6.97962 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 4.5985 5.42531 6.84692 7.80975 4.71426 9.5057 10.8586 8.20656 8.4128 7.10378 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 4.5985 4.86592 5.74152 7.80975 4.71426 5.75014 10.8586 8.20656 7.96533 7.10378 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.20656 8.4128 6.84692 7.10378 4.71426 9.5057 10.8586 4.5985 5.42531 7.80975 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 8.20656 7.96533 5.74152 7.10378 4.71426 5.75014 10.8586 4.5985 4.86592 7.80975 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 11.9764 8.51662 7.22883 18.3341 14.7034 12.7358 9.72611 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 7.27258 12.4021 6.61951 10.7008 5.01275 6.22122 8.32749 5.29811 5.17744 5.50492 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 6.70271 9.25493 8.25037 11.6152 6.54339 7.16346 19.565 14.4655 12.0136 8.83865 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 6.70271 9.25493 8.25037 11.6152 6.54339 7.16346 18.0621 12.3545 12.1851 9.18157 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 6.08532 7.42724 8.25037 10.6031 6.54339 7.16346 16.8436 14.4655 12.0136 8.83865 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 6.08532 7.42724 8.25037 10.6031 6.54339 7.16346 14.3099 12.3545 12.1851 9.18157 numMergedOcc 0
