0 mol 15 unq 0 iso 0 dist 8.0637 9.60736 5.61111 7.57076 8.00576 10.6969 7.38118 5.70754 10.3229 9.93049 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 6.62508 7.77448 5.98169 10.6136 11.4558 6.95803 8.76224 9.2146 12.2603 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.9948 9.77719 7.77448 6.76158 11.7233 16.4255 4.3475 8.76224 9.2146 8.53424 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 5.9948 9.77719 7.77448 7.423 13.0183 16.0765 4.3475 8.76224 9.2146 7.08766 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 5.9948 9.77719 7.77448 5.89257 10.9699 13.6412 4.3475 8.76224 9.2146 4.82199 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.49446 5.48283 5.56988 6.0827 6.13411 3.73834 10.9175 8.7531 12.3772 14.2729 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.49446 5.48283 5.56988 6.0827 6.13411 3.73834 5.4275 7.25138 7.16844 4.46067 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 6.49446 8.18866 3.71033 6.0827 6.13411 6.1737 10.9175 8.7531 10.6151 14.2729 numMergedOcc 0
8 mol 62 unq 3 iso 0 dist 6.49446 8.18866 3.71033 6.0827 6.13411 6.1737 5.4275 7.25138 9.24339 4.46067 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.18358 7.56 3.80156 6.29801 5.73969 3.07021 8.10649 9.853 12.2964 12.9035 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.80094 8.96534 3.90323 8.47439 15.207 14.2042 3.6038 8.47543 10.0928 10.3204 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.80094 8.65328 6.97182 8.47439 15.207 10.919 3.6038 8.47543 8.26768 10.3204 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 8.80094 5.69346 13.358 8.47439 15.207 6.65321 3.6038 8.47543 9.04677 10.3204 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.7195 7.87612 13.0669 6.80203 11.244 3.52721 4.71092 7.06555 10.8681 10.6564 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 8.30819 5.98495 9.74745 8.00826 11.244 8.19592 10.7165 7.06555 13.9205 10.6564 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.75853 9.56218 13.3592 7.82717 3.42324 13.8612 4.32488 7.69952 13.0271 4.87942 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.75853 9.56218 13.3592 8.19926 8.26669 13.9771 4.32488 7.69952 13.0271 7.25595 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 9.75853 9.56218 13.3592 9.02402 14.845 3.2635 4.32488 7.69952 13.0271 12.8994 numMergedOcc 0
18 mol 186 unq 3 iso 0 dist 9.75853 8.30899 13.0046 7.82717 3.42324 12.9254 4.32488 7.69952 11.9623 4.87942 numMergedOcc 0
19 mol 186 unq 4 iso 0 dist 9.75853 8.30899 13.0046 8.19926 8.26669 11.6544 4.32488 7.69952 11.9623 7.25595 numMergedOcc 0
20 mol 186 unq 5 iso 0 dist 9.75853 8.30899 13.0046 9.02402 14.845 4.9849 4.32488 7.69952 11.9623 12.8994 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 9.6748 7.42359 6.76489 8.35328 3.79865 7.66826 6.56644 6.46793 9.53137 4.55853 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 4.76689 6.54521 6.73886 7.22473 3.48905 7.35802 5.30931 7.88108 11.5762 9.66527 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 4.76689 6.54521 6.73886 7.22473 3.48905 7.35802 7.91474 9.46576 7.49606 8.62655 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 4.76689 6.54521 6.73886 6.02628 3.43711 9.94995 5.30931 7.88108 11.5762 7.04263 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 4.76689 6.54521 6.73886 6.02628 3.43711 9.94995 7.91474 9.46576 7.49606 11.9844 numMergedOcc 0
26 mol 260 unq 4 iso 0 dist 8.79012 7.97307 9.0549 7.13397 3.48905 8.04546 8.90225 7.88108 8.51564 9.66527 numMergedOcc 0
27 mol 260 unq 5 iso 0 dist 8.79012 7.97307 9.0549 7.13397 3.48905 8.04546 4.38276 9.46576 11.8771 8.62655 numMergedOcc 0
28 mol 260 unq 6 iso 0 dist 8.79012 7.97307 9.0549 5.33278 8.84611 3.68866 8.90225 7.88108 8.51564 6.48099 numMergedOcc 0
29 mol 260 unq 7 iso 0 dist 8.79012 7.97307 9.0549 5.33278 8.84611 3.68866 4.38276 9.46576 11.8771 9.01781 numMergedOcc 0
30 mol 260 unq 8 iso 0 dist 8.79012 8.52702 17.1277 7.13397 3.48905 15.6308 8.90225 7.88108 14.3252 9.66527 numMergedOcc 0
31 mol 260 unq 9 iso 0 dist 8.79012 8.52702 17.1277 7.13397 3.48905 15.6308 4.38276 9.46576 9.73217 8.62655 numMergedOcc 0
32 mol 260 unq 10 iso 0 dist 8.79012 8.52702 17.1277 5.33278 8.84611 10.6938 8.90225 7.88108 14.3252 6.48099 numMergedOcc 0
33 mol 260 unq 11 iso 0 dist 8.79012 8.52702 17.1277 5.33278 8.84611 10.6938 4.38276 9.46576 9.73217 9.01781 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.477 6.61768 7.54309 6.9943 3.87565 3.68488 4.58167 7.93375 8.20376 6.96692 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.477 6.61768 7.54309 7.36685 9.25882 3.14784 4.58167 7.93375 8.20376 8.25286 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 9.477 6.61768 7.54309 9.03099 12.1357 5.95721 4.58167 7.93375 8.20376 9.9965 numMergedOcc 0
