0 mol 55 unq 0 iso 0 dist 8.57785 8.48514 5.58252 16.0564 8.95571 11.986 18.0281 11.806 10.4234 9.24055 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 8.57785 8.48514 5.58252 16.0564 8.95571 11.986 20.4572 12.3757 13.1266 9.66898 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.64665 9.42869 15.8202 9.50418 7.31677 18.7895 13.9509 6.30737 21.0776 8.8795 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.64736 9.42444 7.56588 3.9634 8.23356 11.0546 8.10965 5.86578 9.03322 6.56481 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 7.64207 8.94096 4.05522 4.8602 8.72039 11.5671 5.52837 7.53392 7.71763 9.39389 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 6.14253 9.56319 14.2363 13.8059 14.3149 18.7765 8.8353 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 6.14253 9.56319 9.73038 13.8059 14.3149 17.9749 8.8353 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 5.7232 5.59311 10.5425 6.14253 9.73038 9.56319 13.8059 17.9749 14.3149 8.8353 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 5.7232 9.22456 12.3753 6.14253 9.73038 14.2363 13.8059 17.9749 18.7765 8.8353 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 6.17825 7.9801 4.07375 8.7629 9.03261 11.4968 11.5161 9.96567 13.9483 8.74399 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 7.15062 9.51001 12.9622 9.80618 11.094 15.2251 4.71683 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 7.15062 9.51001 13.4646 9.80618 11.094 17.6379 4.71683 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 8.6856 9.98868 4.84513 5.60485 8.17026 11.1227 9.44669 6.30651 10.8524 5.53369 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 8.6856 9.98868 4.84513 4.22701 8.43002 11.0083 9.44669 6.30651 10.8524 8.57274 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 8.00278 9.8678 4.78111 5.53565 7.3055 11.387 10.6206 6.1113 10.5702 6.57444 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.00278 9.8678 4.78111 5.53565 7.3055 11.387 9.4961 14.487 17.1354 9.39714 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 6.13722 9.10275 4.78111 4.19938 7.3055 11.387 7.07099 6.1113 10.5702 6.57444 numMergedOcc 0
17 mol 266 unq 3 iso 0 dist 6.13722 9.10275 4.78111 4.19938 7.3055 11.387 8.3978 14.487 17.1354 9.39714 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 8.50508 5.27724 11.7739 5.15923 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 9.04355 5.66584 9.33717 6.96774 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 9.04355 5.66584 9.33717 7.14859 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 8.50508 5.27724 11.7739 5.15923 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 9.04355 5.66584 9.33717 6.96774 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 9.04355 5.66584 9.33717 7.14859 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 8.50508 5.27724 11.7739 5.15923 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 9.04355 5.66584 9.33717 6.96774 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 9.04355 5.66584 9.33717 7.14859 numMergedOcc 0
