0 mol 9 unq 0 iso 0 dist 9.99657 12.8646 6.59312 12.1945 5.67536 6.11048 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.99657 12.8646 6.59312 6.51397 6.96891 8.14998 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.78754 9.26728 9.81983 14.2512 10.7734 6.84216 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.99751 3.30063 9.82851 9.7522 10.797 7.98005 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.44507 3.30063 9.11311 9.7522 10.9837 7.98005 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.30674 6.79894 9.82851 13.4268 10.797 7.98005 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.25567 10.8557 9.82851 16.1537 10.797 7.98005 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 5.84625 6.09663 6.41008 9.01612 10.2049 9.23438 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 5.84625 6.09663 6.41008 4.88613 5.49591 7.17488 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 5.84625 6.09663 6.41008 10.3132 5.85698 6.79356 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.17655 8.65738 6.2576 12.7911 7.23157 5.25027 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 6.47416 8.65738 8.96069 12.7911 12.5946 5.25027 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 9.78129 7.3779 6.2576 11.0858 7.23157 5.25027 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 9.25249 4.48773 7.55367 5.9747 14.3413 7.92856 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.41411 3.78499 7.55367 9.27497 14.3413 7.92856 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.37302 3.77247 5.35711 10.783 8.42718 9.59585 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.03783 7.4003 5.35711 15.1632 8.42718 9.59585 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 8.47541 7.80142 5.35711 11.0486 8.42718 9.59585 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.4733 3.80816 6.21165 7.91337 5.92984 4.80684 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 8.4733 3.80816 6.21165 6.40546 7.45148 7.60162 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 9.90795 9.75069 9.36663 14.2946 9.7351 8.10592 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 8.90876 7.13766 6.12453 11.209 11.7533 7.48734 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 8.90876 7.13766 6.12453 12.2644 7.32989 5.6125 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 5.51388 3.89732 5.41121 11.0485 8.6888 9.37946 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.17917 7.68348 5.41121 15.4585 8.6888 9.37946 numMergedOcc 0
25 mol 169 unq 2 iso 0 dist 8.68909 7.61664 5.41121 10.908 8.6888 9.37946 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 7.42278 3.47137 4.9606 8.58906 7.68909 9.32259 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 5.66363 3.55808 9.20617 9.58911 11.85 9.70481 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.97968 6.33098 9.20617 12.7453 11.85 9.70481 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 8.50382 12.4553 9.20617 18.5206 11.85 9.70481 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 8.63119 8.9845 9.20617 11.622 11.85 9.70481 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 9.37017 11.2153 8.4784 16.8862 10.5721 7.86092 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 5.86419 3.83801 7.75318 9.90206 9.55992 7.13783 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 7.23557 9.4797 7.75318 14.6029 9.55992 7.13783 numMergedOcc 0
34 mol 205 unq 2 iso 0 dist 8.86587 13.314 7.75318 17.5063 9.55992 7.13783 numMergedOcc 0
35 mol 206 unq 0 iso 0 dist 9.7402 10.8126 5.17607 7.42904 4.62682 4.51255 numMergedOcc 0
36 mol 206 unq 1 iso 0 dist 9.7402 10.8126 5.17607 12.7047 7.67029 6.23183 numMergedOcc 0
37 mol 253 unq 0 iso 0 dist 9.69704 7.8581 9.82605 12.0459 6.0964 8.93741 numMergedOcc 0
