0 mol 7 unq 0 iso 0 dist 8.8576 10.4545 8.41585 12.5865 7.15287 6.22892 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 12.703 5.91584 9.47321 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.72522 16.5569 8.57077 13.4847 5.91584 9.47321 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 12.8297 7.95811 6.30573 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 7.28563 12.3645 9.58196 13.4561 7.95811 6.30573 numMergedOcc 0
5 mol 14 unq 2 iso 0 dist 8.51112 12.3645 9.04767 13.4561 6.24146 6.30573 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 8.99612 10.2637 9.0709 18.4693 12.8917 9.06397 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.46609 12.4802 6.43294 20.4977 12.5818 8.8058 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 9.66481 6.77761 7.16583 numMergedOcc 0
9 mol 75 unq 1 iso 0 dist 8.64872 10.4239 7.79912 12.9364 5.06305 7.118 numMergedOcc 0
10 mol 75 unq 2 iso 0 dist 8.64872 12.0967 8.56639 12.9364 5.06305 8.24814 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 12.8435 9.77828 9.22376 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 21.9604 13.018 9.40559 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.27456 9.7565 7.27724 16.0559 13.018 9.40559 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 12.9058 11.8978 9.40559 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.22628 6.8104 6.11741 14.4174 9.97256 9.56867 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 8.09965 8.45411 8.14887 14.4763 10.345 6.65963 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 8.09965 11.3174 9.30299 16.8815 11.0785 7.73139 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 8.09965 11.3174 9.30299 13.2676 8.89539 6.66607 numMergedOcc 0
19 mol 127 unq 3 iso 0 dist 8.09965 11.3174 9.30299 14.4763 10.345 8.62711 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 18.8679 13.7028 6.6776 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 9.31765 11.5481 6.53736 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 7.86668 5.06314 6.18308 11.7543 8.72811 8.18851 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.47457 5.15333 6.65832 10.349 5.38198 7.25658 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 16.6942 9.48478 6.44967 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 10.549 10.908 6.96379 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 10.549 12.7595 6.96379 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.45818 13.2478 8.45658 20.3169 13.3163 8.50313 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.45818 13.2478 8.45658 20.6107 13.6041 7.6414 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 6.78702 4.75685 8.4218 8.43749 12.5953 7.54805 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 8.59825 11.5105 8.4218 11.3648 12.5953 7.54805 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 14.8656 5.77904 8.35794 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 20.1746 12.0417 8.27417 numMergedOcc 0
