0 mol 14 unq 0 iso 0 dist 8.60571 7.12085 9.7022 10.9516 9.58196 5.53425 11.6604 6.03847 8.82819 5.36937 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.60571 7.12085 9.7022 11.3111 9.04767 5.67201 11.6604 6.03847 8.82819 5.99703 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 8.60571 10.9516 9.58196 7.12085 9.7022 5.53425 11.6604 6.03847 5.36937 8.82819 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 8.60571 10.9516 9.58196 11.3111 9.04767 4.53725 11.6604 6.03847 5.36937 5.99703 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 8.60571 11.3111 9.04767 7.12085 9.7022 5.67201 12.1635 4.75873 7.73217 10.9341 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 8.60571 11.3111 9.04767 7.12085 9.7022 5.67201 11.6604 6.03847 5.99703 8.82819 numMergedOcc 0
6 mol 14 unq 6 iso 0 dist 8.60571 11.3111 9.04767 10.9516 9.58196 4.53725 12.1635 4.75873 7.73217 9.95397 numMergedOcc 0
7 mol 14 unq 7 iso 0 dist 8.60571 11.3111 9.04767 10.9516 9.58196 4.53725 11.6604 6.03847 5.99703 5.36937 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 13.3206 13.7926 8.4143 8.21743 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 21.8495 15.3279 9.67557 14.3639 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 21.8495 15.3279 9.67557 19.3849 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 20.3628 12.9061 9.22737 14.2807 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 20.3628 12.9061 9.22737 15.6365 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 20.346 12.9061 9.22737 14.2807 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 20.346 12.9061 9.22737 15.6365 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 17.3785 10.9791 7.9258 12.4685 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 10.6541 6.13737 8.59695 11.3703 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 7.26325 5.12351 6.42706 12.0652 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 19.2092 12.8561 7.49783 11.5265 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 19.2092 12.8561 7.49783 14.8623 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 12.1661 12.8561 7.49783 11.5265 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 12.1661 12.8561 7.49783 14.8623 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 5.00457 6.23084 9.06952 5.65373 7.03423 6.84129 6.86281 6.36273 8.68804 11.2048 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 6.82526 10.3274 8.45658 10.9571 9.14619 7.00201 12.544 6.75336 7.00833 10.0402 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 5.80223 6.0664 5.51836 6.38295 8.26589 5.41639 7.96485 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 8.30978 6.53701 5.51836 6.38295 8.26589 7.96485 5.41639 numMergedOcc 0
