0 mol 1 unq 0 iso 0 dist 7.94669 7.90928 12.4732 6.35409 14.2234 8.56884 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.68091 9.86938 6.88402 7.08043 6.92865 8.99126 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.979 9.05346 12.0005 4.78943 8.17898 7.03948 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.979 9.05346 12.0005 5.48395 10.6491 5.47769 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 7.979 9.05346 12.0005 10.1011 15.8595 6.58035 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.01516 9.07582 5.79235 10.6118 11.8934 7.87814 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 5.74637 5.82918 8.71166 4.0486 7.76275 9.2603 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.40577 9.78437 12.5418 7.6321 11.756 6.96442 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.83596 8.0578 9.55722 11.1675 12.7373 7.20326 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.00829 9.47892 12.7563 9.58951 16.9933 7.39889 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.00829 9.47892 12.7563 18.2257 21.9406 9.63176 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.00829 9.47892 12.7563 9.93013 12.3965 7.44174 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.46039 9.9492 9.53126 9.79072 13.6622 7.31468 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 9.46039 9.9492 9.53126 5.80488 9.18691 7.7056 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 5.16143 8.02593 7.00069 5.01007 8.66709 7.39644 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 5.16143 8.02593 7.00069 9.80448 9.91732 7.36102 numMergedOcc 0
16 mol 155 unq 2 iso 0 dist 8.08392 7.50392 5.49358 4.94973 9.91732 9.38946 numMergedOcc 0
17 mol 155 unq 3 iso 0 dist 8.08392 8.77391 7.00069 12.7814 8.66709 7.39644 numMergedOcc 0
18 mol 155 unq 4 iso 0 dist 8.08392 8.77391 7.00069 4.94973 9.91732 7.36102 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.15795 7.42108 14.3873 4.81807 10.7436 9.93083 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.15795 7.42108 14.3873 7.79648 16.0089 7.01383 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 8.55971 7.1158 6.50565 5.0241 9.68515 4.87541 numMergedOcc 0
22 mol 219 unq 1 iso 0 dist 7.26376 7.1158 7.42613 5.0241 8.09769 4.87541 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.87685 8.82471 11.8922 10.9746 17.0503 5.86443 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 7.78329 7.77951 5.17887 4.53819 6.095 5.86443 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 8.20542 6.98151 11.4732 11.2013 9.97357 7.17676 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 8.20542 6.98151 11.4732 4.15973 6.36941 5.34718 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.93135 9.94175 5.32456 13.8985 10.639 5.38637 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.93135 9.94175 5.32456 14.9782 10.7268 6.55759 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 7.93817 9.46855 5.83664 10.1405 12.2736 8.61104 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 8.21164 9.76925 4.15871 14.6138 7.29178 6.6838 numMergedOcc 0
31 mol 247 unq 1 iso 0 dist 8.40674 9.76925 12.9672 14.6138 18.5067 6.6838 numMergedOcc 0
32 mol 247 unq 2 iso 0 dist 6.09851 9.76925 11.7419 14.6138 15.88 6.6838 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 8.42335 8.96997 4.91806 4.64783 8.58671 6.85028 numMergedOcc 0
34 mol 282 unq 1 iso 0 dist 8.42335 8.96997 4.91806 10.0286 11.0247 7.32347 numMergedOcc 0
35 mol 282 unq 2 iso 0 dist 8.42335 8.96997 4.91806 7.65702 10.3918 8.3411 numMergedOcc 0
