0 mol 79 unq 0 iso 0 dist 7.74131 7.06029 6.82396 6.05149 11.1999 6.65972 8.97789 12.035 5.63083 4.2253 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 9.0455 7.84813 3.54691 5.0466 7.13958 4.4077 12.1544 5.56761 5.83342 8.4874 numMergedOcc 0
2 mol 192 unq 0 iso 0 dist 9.80584 5.05414 9.70184 8.19854 13.6997 5.5223 7.16964 13.6636 4.98308 8.00501 numMergedOcc 0
3 mol 192 unq 1 iso 0 dist 9.80584 7.16964 13.6636 8.19854 13.6997 8.00501 5.05414 9.70184 4.98308 5.5223 numMergedOcc 0
4 mol 192 unq 2 iso 0 dist 7.95713 5.05414 8.12818 8.19854 13.262 5.5223 7.16964 10.7274 4.98308 8.00501 numMergedOcc 0
5 mol 192 unq 3 iso 0 dist 7.95713 7.16964 10.7274 8.19854 13.262 8.00501 5.05414 8.12818 4.98308 5.5223 numMergedOcc 0
6 mol 204 unq 0 iso 0 dist 9.91429 8.49554 5.04761 5.55359 11.6439 9.92651 10.5745 6.17462 4.97009 9.41594 numMergedOcc 0
7 mol 253 unq 0 iso 0 dist 5.86892 8.71119 11.1928 9.53082 13.8515 6.3093 13.7898 17.0194 6.8233 9.80396 numMergedOcc 0
8 mol 254 unq 0 iso 0 dist 9.03136 9.93669 3.67192 5.36654 5.17988 7.02613 13.3211 10.2653 13.3862 8.95185 numMergedOcc 0
9 mol 285 unq 0 iso 0 dist 8.12306 5.28731 10.1123 6.37482 5.76796 7.08681 10.1649 7.01472 11.9982 4.95596 numMergedOcc 0
10 mol 285 unq 1 iso 0 dist 8.12306 5.28731 10.1123 6.37482 5.76796 7.08681 11.3128 11.0045 11.9803 6.3508 numMergedOcc 0
11 mol 285 unq 2 iso 0 dist 8.12306 5.28731 10.1123 6.37482 5.76796 7.08681 14.2549 8.2602 14.1264 8.3005 numMergedOcc 0
12 mol 285 unq 3 iso 0 dist 8.12306 5.28731 10.1123 9.97666 17.9599 9.66678 9.59733 16.0966 7.33055 6.07843 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 13.963 20.7947 11.3248 9.77996 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 9.83733 16.3097 6.88737 6.61308 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 13.963 20.7947 11.3248 9.77996 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 9.83733 16.3097 6.88737 6.61308 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 13.963 20.7947 11.3248 9.77996 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 9.39409 6.16127 11.7613 5.27724 14.3463 6.25845 9.83733 16.3097 6.88737 6.61308 numMergedOcc 0
