0 mol 8 unq 0 iso 0 dist 9.86938 7.08043 8.99126 6.68091 6.88402 6.92865 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 7.979 12.0005 8.17898 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.07582 10.6118 7.87814 13.2638 6.26867 5.49623 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.75205 15.6961 9.10189 18.3913 10.2577 9.25163 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 5.82918 4.0486 9.2603 5.74637 8.71166 7.76275 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.57958 4.32564 7.06013 10.4835 9.81259 6.30103 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 11.8574 5.84883 5.97879 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 9.78437 7.6321 6.96442 13.4743 5.01204 8.19156 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 9.43335 10.5005 7.7056 16.9146 9.53126 9.18691 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 11.0468 4.85796 8.90592 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 9.9492 5.80488 7.7056 9.46039 9.53126 9.18691 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 12.1128 4.85796 8.90592 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.16944 9.88413 8.87452 11.4704 6.40439 6.53758 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 8.02593 5.01007 7.39644 5.16143 7.00069 8.66709 numMergedOcc 0
14 mol 155 unq 2 iso 0 dist 8.77391 12.7814 7.39644 8.08392 7.00069 8.66709 numMergedOcc 0
15 mol 155 unq 3 iso 0 dist 7.62575 14.7279 9.86313 17.7131 10.5375 7.28355 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 8.27907 10.2817 7.18041 19.7683 13.5954 9.88212 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 7.90156 11.7195 7.17547 14.8442 12.7227 9.88212 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 8.55971 6.50565 9.68515 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 7.1158 5.0241 4.87541 7.26376 7.42613 8.09769 numMergedOcc 0
20 mol 219 unq 2 iso 0 dist 7.1158 5.0241 4.87541 11.2519 5.58412 6.75833 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 11.4498 8.62626 8.69148 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 7.77951 4.53819 5.86443 7.78329 5.17887 6.095 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 8.82471 10.9746 5.86443 13.0999 5.17887 6.095 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 8.20542 11.4732 9.97357 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 6.98151 4.15973 5.34718 8.20542 11.4732 6.36941 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.24435 10.7712 7.2766 14.7714 10.4286 8.89538 numMergedOcc 0
27 mol 247 unq 0 iso 0 dist 9.76925 14.6138 6.6838 8.21164 4.15871 7.29178 numMergedOcc 0
28 mol 247 unq 1 iso 0 dist 9.6455 9.44194 6.6838 13.368 4.15871 7.29178 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 10.6289 4.91806 8.58671 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 16.9751 10.8603 9.51581 numMergedOcc 0
31 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 8.42335 4.91806 8.58671 numMergedOcc 0
32 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 18.3066 10.8603 9.51581 numMergedOcc 0
