0 mol 15 unq 0 iso 0 dist 9.62922 10.7239 8.4014 11.7741 5.69755 5.89412 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.89423 10.0517 8.91596 15.6541 10.8132 7.99969 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.80117 9.69698 9.02471 16.0184 10.4863 8.95682 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.79386 5.90113 9.02471 11.9521 10.4863 8.95682 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.85622 11.8887 7.92856 16.7804 11.6496 6.65501 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 9.5434 5.09542 5.54256 11.4976 7.28191 8.31932 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.68838 11.619 7.44558 12.8806 9.63255 7.02927 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 7.68838 11.619 7.44558 11.2676 4.0719 6.60933 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.22398 5.28643 4.76974 5.9575 8.16155 6.97707 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.16392 11.8473 7.42146 17.1631 10.5934 7.70232 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.16392 11.8473 7.42146 18.6143 11.9806 7.4671 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 15.5452 11.3935 9.23819 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 8.08737 7.21898 4.42563 14.8384 8.90201 8.88537 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.12319 5.25879 8.81797 6.87196 3.88766 8.78276 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.12319 5.26656 9.81269 6.87196 3.88766 7.88805 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 8.12319 10.9365 5.92733 6.87196 3.88766 7.96646 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 9.04366 10.7254 8.81797 12.3159 3.88766 8.78276 numMergedOcc 0
17 mol 130 unq 4 iso 0 dist 9.04366 14.0585 9.81269 12.3159 3.88766 7.88805 numMergedOcc 0
18 mol 130 unq 5 iso 0 dist 9.04366 5.63567 5.92733 12.3159 3.88766 7.96646 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.44004 5.29825 8.80895 5.43662 5.92118 8.70296 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 8.44004 5.29825 8.80895 13.3064 10.2176 9.25558 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 7.667 7.26802 8.92592 8.30857 5.71136 7.44629 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 15.2004 11.8094 9.39352 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.39733 7.07865 8.29467 5.25309 3.63671 5.94469 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.74268 13.9526 8.29467 10.1186 3.63671 5.94469 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 7.72354 7.25468 9.84566 6.65725 5.05856 6.42735 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 7.26295 15.6354 9.52922 9.819 3.7326 8.65535 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 8.64187 12.6417 8.82761 19.9332 15.5804 7.37798 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 8.64187 12.6417 8.82761 11.5004 6.78109 7.73322 numMergedOcc 0
29 mol 213 unq 2 iso 0 dist 8.64187 10.3241 4.66576 11.5004 6.78109 8.14332 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 6.8533 10.613 7.3268 10.7108 4.02097 7.79066 numMergedOcc 0
31 mol 231 unq 1 iso 0 dist 8.8788 6.39215 9.9868 12.7446 10.5016 7.79066 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 5.90826 6.13639 8.94231 12.1661 13.4894 8.94014 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 5.90826 5.59848 8.88652 12.1661 13.4894 7.02333 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 5.90826 7.17967 6.46771 12.1661 13.4894 8.67864 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 8.75412 11.8352 8.94231 12.894 13.4894 8.94014 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 8.75412 7.31855 8.88652 12.894 13.4894 7.02333 numMergedOcc 0
37 mol 238 unq 5 iso 0 dist 8.75412 5.91323 6.46771 12.894 13.4894 8.67864 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 7.99963 4.77446 4.43499 10.3104 5.76503 8.84636 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 5.57978 10.4505 5.4557 10.5461 7.26991 7.6595 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.0458 5.39801 9.65934 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 6.68183 5.06937 7.07965 numMergedOcc 0
