0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 14.9294 12.8912 8.13129 9.15528 6.91778 9.14271 15.8251 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.99338 4.99728 15.247 13.1231 9.07223 9.15528 6.91778 9.14271 12.6486 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.6994 8.13129 6.40255 14.9294 15.3236 9.99338 15.8251 10.5702 9.14271 9.15528 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.6994 8.13129 6.40255 7.19817 7.15528 9.07223 15.8251 10.5702 9.14271 12.6486 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.15528 9.07223 6.40255 15.247 15.3236 9.99338 12.6486 10.5702 9.14271 9.15528 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.15528 9.07223 6.40255 7.19817 9.6994 8.13129 12.6486 10.5702 9.14271 15.8251 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 9.0379 10.6581 6.28925 8.43473 6.02702 6.04832 5.03847 numMergedOcc 0
7 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 15.4949 18.3807 8.70159 8.43473 6.02702 6.04832 13.8829 numMergedOcc 0
8 mol 7 unq 2 iso 0 dist 8.41585 6.28925 10.6847 9.0379 16.7601 7.5706 5.03847 10.3148 6.04832 8.43473 numMergedOcc 0
9 mol 7 unq 3 iso 0 dist 8.41585 6.28925 10.6847 13.2247 12.2333 8.70159 5.03847 10.3148 6.04832 13.8829 numMergedOcc 0
10 mol 7 unq 4 iso 0 dist 7.10621 8.70159 4.87279 15.4949 11.0773 7.5706 13.8829 8.72114 6.04832 8.43473 numMergedOcc 0
11 mol 7 unq 5 iso 0 dist 7.10621 8.70159 4.87279 13.2247 10.5461 6.28925 13.8829 8.72114 6.04832 5.03847 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 5.17568 10.4158 8.63502 9.64147 12.4741 7.38744 10.7474 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 8.38064 7.876 5.88545 5.17568 10.4158 8.63502 4.29582 7.07399 9.41935 8.72342 numMergedOcc 0
14 mol 15 unq 2 iso 0 dist 9.97507 7.876 8.20465 5.17568 6.82505 8.63502 9.64147 13.6763 7.38744 10.7474 numMergedOcc 0
15 mol 15 unq 3 iso 0 dist 9.97507 7.876 8.20465 5.17568 6.82505 8.63502 4.29582 11.7302 9.41935 8.72342 numMergedOcc 0
16 mol 15 unq 4 iso 0 dist 6.82505 8.63502 8.20465 5.17568 9.97507 7.876 10.7474 13.6763 7.38744 9.64147 numMergedOcc 0
17 mol 15 unq 5 iso 0 dist 6.82505 8.63502 8.20465 5.17568 9.97507 7.876 8.72342 11.7302 9.41935 4.29582 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 5.08001 6.83299 9.22021 6.4484 10.435 7.04671 9.96705 numMergedOcc 0
19 mol 54 unq 1 iso 0 dist 6.83299 9.22021 8.17454 5.08001 9.5589 7.56581 9.96705 10.435 7.04671 6.4484 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 10.8586 10.9461 8.20656 6.12107 12.0685 8.95014 12.5531 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 10.8586 10.9461 8.20656 5.42531 10.9242 6.84692 8.4128 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.87449 4.5985 5.1283 10.8586 10.9461 8.20656 4.86592 10.8527 5.74152 7.96533 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 7.17106 8.20656 8.07089 10.8586 10.1489 4.5985 12.5531 9.1361 8.95014 6.12107 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 7.17106 8.20656 8.07089 10.8586 10.1489 4.5985 8.4128 7.01812 6.84692 5.42531 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 7.17106 8.20656 8.07089 10.8586 10.1489 4.5985 7.96533 10.4538 5.74152 4.86592 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 8.18495 13.268 9.64695 4.54648 6.16242 6.49688 12.538 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 8.18495 12.6651 9.64695 4.54648 5.87634 6.49688 12.538 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 8.18495 8.00618 4.51266 12.538 10.9061 6.49688 4.54648 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 8.00618 4.51266 6.56917 8.18495 7.11802 9.64695 4.54648 10.9061 6.49688 12.538 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 7.73294 13.9342 4.90825 4.62682 11.6096 5.80674 4.51687 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 6.7547 5.31963 4.98428 5.46301 11.5044 7.85632 5.0515 10.3657 9.05585 6.47822 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 5.88703 12.9605 6.35438 13.8349 18.7983 9.38888 10.0059 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 8.34494 7.72403 10.3378 15.2225 19.889 9.57132 13.8349 18.7983 9.38888 5.08515 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 6.56247 7.72403 8.83842 5.88703 9.45496 6.35438 13.8349 17.6227 9.38888 10.0059 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 6.56247 7.72403 8.83842 15.2225 17.458 9.57132 13.8349 17.6227 9.38888 5.08515 numMergedOcc 0
36 mol 234 unq 4 iso 0 dist 9.36357 7.72403 5.43327 5.88703 6.7625 6.35438 13.8349 12.6238 9.38888 10.0059 numMergedOcc 0
37 mol 234 unq 5 iso 0 dist 9.36357 7.72403 5.43327 15.2225 10.701 9.57132 13.8349 12.6238 9.38888 5.08515 numMergedOcc 0
38 mol 234 unq 6 iso 0 dist 9.45496 6.35438 8.83842 5.88703 6.56247 7.72403 10.0059 17.6227 9.38888 13.8349 numMergedOcc 0
39 mol 234 unq 7 iso 0 dist 9.45496 6.35438 8.83842 10.2693 17.458 9.57132 10.0059 17.6227 9.38888 5.08515 numMergedOcc 0
40 mol 234 unq 8 iso 0 dist 6.7625 6.35438 5.43327 5.88703 9.36357 7.72403 10.0059 12.6238 9.38888 13.8349 numMergedOcc 0
41 mol 234 unq 9 iso 0 dist 6.7625 6.35438 5.43327 10.2693 10.701 9.57132 10.0059 12.6238 9.38888 5.08515 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 12.7454 11.8467 8.10769 11.169 11.308 6.85567 6.34419 numMergedOcc 0
43 mol 273 unq 0 iso 0 dist 6.92774 6.70271 5.93427 5.50577 9.95379 6.08532 9.25493 12.8175 8.25037 7.42724 numMergedOcc 0
44 mol 273 unq 1 iso 0 dist 9.01049 6.70271 5.29565 5.50577 10.2273 6.08532 9.25493 8.49177 8.25037 7.42724 numMergedOcc 0
45 mol 273 unq 2 iso 0 dist 9.2983 6.70271 11.0848 5.50577 13.7772 6.08532 9.25493 12.7219 8.25037 7.42724 numMergedOcc 0
