0 mol 11 unq 0 iso 0 dist 9.53002 4.30695 11.9464 10.7048 4.79838 14.2498 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 6.35398 7.5901 10.7048 4.79838 9.81983 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.20943 8.40416 11.4087 4.44441 6.38574 12.7679 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.82528 7.75618 11.4087 10.0411 6.38574 12.7679 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.58657 6.41423 5.90856 12.323 7.40236 12.8274 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 12.8511 7.84204 11.7007 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.43442 9.53378 8.70414 6.16709 9.44125 9.09185 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 8.44881 8.88313 12.2293 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.26899 7.21955 10.8421 4.25144 5.48837 9.97953 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.58673 8.80614 8.88332 4.59417 8.98478 6.41008 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 9.57816 7.61685 7.83985 10.1773 8.35515 9.44645 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 7.20326 7.70232 9.79891 13.36 9.86985 19.0913 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 7.20326 7.4671 9.97229 13.36 9.86985 18.3416 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.36119 7.30357 11.9671 3.79489 8.22067 9.63874 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.36119 8.61587 8.69711 3.79489 8.22067 10.5534 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 8.61331 7.33273 13.7844 6.40668 9.67312 13.2742 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.71012 8.90963 6.03415 11.618 7.61421 9.20617 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 4.93785 9.39829 7.30555 6.13927 6.91878 13.0634 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 7.44296 9.46392 10.9454 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 11.7478 9.76225 16.1826 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.99696 7.50013 11.1666 11.9685 9.77656 11.7004 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 8.99696 7.50013 11.1666 16.9912 9.6071 18.045 numMergedOcc 0
22 mol 197 unq 2 iso 0 dist 8.99696 5.81233 13.3562 11.9685 9.77656 13.216 numMergedOcc 0
23 mol 197 unq 3 iso 0 dist 8.99696 5.81233 13.3562 16.9912 9.6071 20.3848 numMergedOcc 0
24 mol 197 unq 4 iso 0 dist 8.99696 6.92924 4.59269 11.9685 9.77656 12.6843 numMergedOcc 0
25 mol 197 unq 5 iso 0 dist 8.99696 6.92924 4.59269 16.9912 9.6071 14.1651 numMergedOcc 0
26 mol 197 unq 6 iso 0 dist 8.99696 7.14306 12.9766 11.9685 9.77656 18.6741 numMergedOcc 0
27 mol 197 unq 7 iso 0 dist 8.99696 7.14306 12.9766 16.9912 9.6071 22.3533 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 5.90931 9.68728 11.145 6.49075 9.58537 15.6821 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 6.0965 7.37798 6.17282 4.67313 6.8984 10.7796 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 6.0965 7.73322 10.5013 4.67313 6.8984 8.59946 numMergedOcc 0
31 mol 213 unq 2 iso 0 dist 9.59129 7.37798 12.1116 4.67313 7.77553 10.7796 numMergedOcc 0
32 mol 213 unq 3 iso 0 dist 9.59129 7.73322 9.93085 4.67313 7.77553 8.59946 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 14.5747 8.5244 15.6098 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 4.14873 8.49913 11.6437 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 6.25105 9.81425 13.0631 13.8525 7.91374 19.3548 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.90142 7.57812 10.3147 8.71924 8.54425 14.4206 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.90142 8.69104 15.6823 8.71924 8.54425 17.1864 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.14172 7.02333 4.38002 10.1977 8.71877 11.9026 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 6.77463 8.67864 4.38002 5.7648 8.71877 11.9026 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 9.5784 7.16853 13.9064 11.147 8.56867 17.8153 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 9.5784 7.16853 13.9064 10.0018 6.29872 16.5433 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 4.60007 9.85661 13.9254 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 4.60007 9.85661 8.09181 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
