0 mol 1 unq 0 iso 0 dist 7.94669 7.90928 12.4732 9.99706 17.331 9.44115 6.35409 14.2234 8.56884 6.44928 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 9.83596 8.0578 9.55722 12.3184 17.3559 8.78982 11.1675 12.7373 7.20326 6.7814 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.00829 9.47892 12.7563 15.0412 20.8887 8.95838 9.58951 16.9933 7.39889 7.38295 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 9.00829 9.47892 12.7563 15.0412 20.8887 8.95838 18.2257 21.9406 9.63176 5.85391 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 9.00829 9.47892 12.7563 15.0412 20.8887 8.95838 9.93013 12.3965 7.44174 11.0075 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 9.46039 9.9492 9.53126 15.2469 16.9146 9.43335 9.79072 13.6622 7.31468 5.69675 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 9.46039 9.9492 9.53126 15.2469 16.9146 9.43335 5.80488 9.18691 7.7056 10.5005 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.16143 8.02593 7.00069 9.95765 8.08392 8.77391 5.01007 8.66709 7.39644 12.7814 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 5.16143 8.02593 7.00069 9.95765 8.08392 8.77391 9.80448 9.91732 7.36102 4.94973 numMergedOcc 0
9 mol 155 unq 2 iso 0 dist 8.08392 8.77391 7.00069 9.95765 5.16143 8.02593 12.7814 8.66709 7.39644 5.01007 numMergedOcc 0
10 mol 155 unq 3 iso 0 dist 8.08392 8.77391 7.00069 9.95765 5.16143 8.02593 4.94973 9.91732 7.36102 9.80448 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 9.15795 7.42108 14.3873 9.96454 14.7665 9.19941 4.81807 10.7436 9.93083 7.68618 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 9.15795 7.42108 14.3873 9.96454 14.7665 9.19941 7.79648 16.0089 7.01383 6.50505 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.87685 8.82471 11.8922 9.86046 17.6253 7.77951 10.9746 17.0503 5.86443 4.53819 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 7.78329 7.77951 5.17887 9.86046 13.0999 8.82471 4.53819 6.095 5.86443 10.9746 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.93135 9.94175 5.32456 13.7433 13.7393 8.81534 13.8985 10.639 5.38637 5.33567 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.93135 9.94175 5.32456 13.7433 13.7393 8.81534 14.9782 10.7268 6.55759 9.85437 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.93817 9.46855 5.83664 6.68091 10.0366 8.53888 10.1405 12.2736 8.61104 10.3202 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 8.21164 9.76925 4.15871 18.3145 13.368 9.6455 14.6138 7.29178 6.6838 9.44194 numMergedOcc 0
19 mol 247 unq 1 iso 0 dist 8.40674 9.76925 12.9672 18.3145 21.985 9.6455 14.6138 18.5067 6.6838 9.44194 numMergedOcc 0
20 mol 247 unq 2 iso 0 dist 6.09851 9.76925 11.7419 18.3145 17.6032 9.6455 14.6138 15.88 6.6838 9.44194 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 8.42335 8.96997 4.91806 12.2772 10.6289 9.20119 4.64783 8.58671 6.85028 12.5533 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 8.42335 8.96997 4.91806 12.2772 10.6289 9.20119 10.0286 11.0247 7.32347 14.3567 numMergedOcc 0
23 mol 282 unq 2 iso 0 dist 8.42335 8.96997 4.91806 12.2772 10.6289 9.20119 7.65702 10.3918 8.3411 6.32603 numMergedOcc 0
