0 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 6.90032 6.65398 10.0413 10.1259 12.2342 8.15864 14.397 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 6.36389 6.17846 10.2564 12.1186 9.86958 8.85416 13.347 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 13.347 6.17846 10.2564 12.1186 6.08228 5.66803 6.36389 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.92936 9.47045 9.95663 11.6681 8.4438 17.8092 11.7643 12.762 8.07498 17.7079 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.92936 8.68218 6.87319 11.6681 8.4438 13.8274 11.7643 12.762 7.46419 17.7079 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.02969 9.3757 5.44978 4.22711 7.02265 10.7771 10.5302 9.42175 9.42014 9.00066 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.42175 9.42014 5.44978 9.00066 7.02265 10.7771 10.5302 7.02969 9.3757 4.22711 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 12.1681 7.50126 9.2759 9.34083 12.8985 8.76088 11.2107 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.12189 9.2759 10.8516 10.5053 7.50911 14.578 12.1681 14.2037 5.79195 15.3856 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.12189 9.2759 10.8516 10.5053 7.50911 14.578 11.2107 9.428 8.76088 8.38129 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 7.50126 9.2759 5.35551 12.1681 9.07294 5.79195 11.2107 12.8985 8.76088 9.34083 numMergedOcc 0
11 mol 189 unq 0 iso 0 dist 5.11059 9.47321 8.03657 8.91303 7.04604 14.5375 8.74557 10.0857 6.38294 14.8115 numMergedOcc 0
12 mol 245 unq 0 iso 0 dist 6.41862 7.95061 3.53109 9.57831 9.85927 10.2635 15.2703 10.8718 9.5096 9.96194 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 6.43452 9.71882 9.13604 4.70691 14.3042 6.0437 9.51335 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 9.51335 14.3042 6.0437 4.70691 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 6.28482 6.91743 12.3228 13.1611 21.9878 9.39714 19.1866 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 9.63694 7.9555 14.6225 6.28482 6.91743 13.7347 6.70676 11.475 8.8646 8.59545 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 6.70676 8.42706 11.4453 13.1611 8.12204 9.39714 16.4476 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 6.58277 7.9555 3.93133 13.1611 8.12204 10.1316 6.70676 8.42706 8.8646 16.4476 numMergedOcc 0
19 mol 266 unq 4 iso 0 dist 8.42706 8.8646 3.93133 16.4476 8.12204 10.1316 6.70676 6.58277 7.9555 13.1611 numMergedOcc 0
20 mol 266 unq 5 iso 0 dist 8.12204 9.39714 5.91091 16.4476 8.42706 11.4453 13.1611 6.58277 6.57444 6.70676 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 5.92133 8.41041 8.22117 4.79603 13.2778 6.04225 9.24679 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 5.92133 8.61456 5.00258 9.24679 13.2778 6.04225 4.79603 numMergedOcc 0
23 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 6.3489 8.42712 6.42608 8.71249 12.8233 7.41524 5.34794 numMergedOcc 0
24 mol 293 unq 1 iso 0 dist 8.42712 6.42608 8.14268 6.3489 8.8788 4.72125 5.34794 12.8233 7.41524 8.71249 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 9.4329 8.60441 16.275 8.23817 9.47998 6.37998 15.7012 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 9.39625 9.77023 11.4878 9.4329 6.97558 16.275 8.23817 13.3652 6.37998 15.7012 numMergedOcc 0
