0 mol 16 unq 0 iso 0 dist 9.30471 10.3757 7.03948 12.8949 6.92781 5.47769 6.88552 5.05803 6.2983 6.31718 15.1225 12.5273 5.94084 7.63133 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.30471 10.3757 7.03948 12.8949 6.92781 5.47769 15.1225 12.5273 5.94084 7.63133 6.88552 5.05803 6.2983 6.31718 10.8455 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.0519 10.4091 10.4988 7.20519 13.3276 8.4674 5.14627 4.54938 7.34551 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.3276 8.4674 5.14627 4.54938 13.0519 10.4091 10.4988 7.20519 7.34551 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.0519 10.4091 10.4988 7.20519 7.64353 4.51865 4.69858 6.864 7.07775 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 7.64353 4.51865 4.69858 6.864 13.0519 10.4091 10.4988 7.20519 7.07775 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.3276 8.4674 5.14627 4.54938 7.64353 4.51865 4.69858 6.864 5.80928 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 7.64353 4.51865 4.69858 6.864 13.3276 8.4674 5.14627 4.54938 5.80928 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 18.5071 12.0662 15.209 7.47343 14.9329 9.60661 10.9608 6.65086 8.8807 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 14.9329 9.60661 10.9608 6.65086 18.5071 12.0662 15.209 7.47343 8.8807 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 18.5071 12.0662 15.209 7.47343 10.3954 9.35224 5.69137 6.56369 12.6515 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 10.3954 9.35224 5.69137 6.56369 18.5071 12.0662 15.209 7.47343 12.6515 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 18.5071 12.0662 15.209 7.47343 13.2084 10.5853 9.21622 9.30209 13.887 numMergedOcc 0
13 mol 100 unq 2 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 13.2084 10.5853 9.21622 9.30209 18.5071 12.0662 15.209 7.47343 13.887 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 14.9329 9.60661 10.9608 6.65086 10.3954 9.35224 5.69137 6.56369 7.80879 numMergedOcc 0
15 mol 100 unq 1 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 10.3954 9.35224 5.69137 6.56369 14.9329 9.60661 10.9608 6.65086 7.80879 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 14.9329 9.60661 10.9608 6.65086 13.2084 10.5853 9.21622 9.30209 5.38414 numMergedOcc 0
17 mol 100 unq 2 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 13.2084 10.5853 9.21622 9.30209 14.9329 9.60661 10.9608 6.65086 5.38414 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 10.3954 9.35224 5.69137 6.56369 13.2084 10.5853 9.21622 9.30209 6.39938 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 13.2084 10.5853 9.21622 9.30209 10.3954 9.35224 5.69137 6.56369 6.39938 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 6.60925 6.65086 10.9608 9.60661 12.0206 10.5134 5.01145 7.17106 11.5403 numMergedOcc 0
21 mol 100 unq 3 iso 1 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 12.0206 10.5134 5.01145 7.17106 6.60925 6.65086 10.9608 9.60661 11.5403 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 6.60925 6.65086 10.9608 9.60661 4.95357 6.56369 5.69137 9.35224 7.80879 numMergedOcc 0
23 mol 100 unq 4 iso 1 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 4.95357 6.56369 5.69137 9.35224 6.60925 6.65086 10.9608 9.60661 7.80879 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 12.0206 10.5134 5.01145 7.17106 4.95357 6.56369 5.69137 9.35224 8.87654 numMergedOcc 0
25 mol 100 unq 4 iso 1 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 4.95357 6.56369 5.69137 9.35224 12.0206 10.5134 5.01145 7.17106 8.87654 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 9.89053 5.24695 6.63981 12.3692 6.16471 7.34519 10.5171 11.3474 7.41404 8.14887 17.379 14.9565 13.1312 9.30299 7.30196 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 9.89053 5.24695 6.63981 12.3692 6.16471 7.34519 17.379 14.9565 13.1312 9.30299 10.5171 11.3474 7.41404 8.14887 7.30196 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.86784 10.0815 8.6355 15.1513 8.80819 8.79571 6.65283 6.49416 5.41704 8.94367 12.2198 12.5075 6.17103 9.86662 6.81259 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 8.86784 10.0815 8.6355 15.1513 8.80819 8.79571 12.2198 12.5075 6.17103 9.86662 6.65283 6.49416 5.41704 8.94367 6.81259 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.86784 10.0815 8.6355 11.3169 5.00817 5.42582 6.65283 6.49416 5.41704 6.37586 12.2198 12.5075 6.17103 9.71307 6.81259 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 8.86784 10.0815 8.6355 11.3169 5.00817 5.42582 12.2198 12.5075 6.17103 9.71307 6.65283 6.49416 5.41704 6.37586 6.81259 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 9.16358 5.0903 8.79571 6.48328 5.49782 5.42582 10.0911 8.94367 5.41704 6.37586 9.66197 9.86662 6.17103 9.71307 6.81259 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 9.16358 5.0903 8.79571 6.48328 5.49782 5.42582 9.66197 9.86662 6.17103 9.71307 10.0911 8.94367 5.41704 6.37586 6.81259 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 9.16358 5.0903 8.79571 11.0053 8.80819 8.6355 14.537 11.9139 10.1448 6.54501 10.0911 8.94367 5.41704 6.49416 5.00526 numMergedOcc 0
35 mol 134 unq 3 iso 1 dist 9.16358 5.0903 8.79571 11.0053 8.80819 8.6355 10.0911 8.94367 5.41704 6.49416 14.537 11.9139 10.1448 6.54501 5.00526 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 6.48328 5.0903 5.42582 9.16358 5.49782 8.79571 10.0911 6.37586 5.41704 8.94367 9.66197 9.71307 6.17103 9.86662 6.81259 numMergedOcc 0
37 mol 134 unq 4 iso 1 dist 6.48328 5.0903 5.42582 9.16358 5.49782 8.79571 9.66197 9.71307 6.17103 9.86662 10.0911 6.37586 5.41704 8.94367 6.81259 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 6.48328 5.0903 5.42582 11.0053 5.00817 8.6355 14.537 9.5126 10.1448 6.54501 10.0911 6.37586 5.41704 6.49416 5.00526 numMergedOcc 0
39 mol 134 unq 5 iso 1 dist 6.48328 5.0903 5.42582 11.0053 5.00817 8.6355 10.0911 6.37586 5.41704 6.49416 14.537 9.5126 10.1448 6.54501 5.00526 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 7.49783 10.7068 6.67585 11.5265 4.70378 6.65984 12.8561 8.95269 5.29877 6.57273 15.8606 9.99123 6.12232 6.60589 5.0744 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 7.49783 10.7068 6.67585 11.5265 4.70378 6.65984 15.8606 9.99123 6.12232 6.60589 12.8561 8.95269 5.29877 6.57273 5.0744 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.02226 6.92493 6.95902 8.27093 5.22356 8.17891 10.9396 8.65997 6.43754 7.22101 10.9533 10.8157 9.13836 7.09863 4.39704 numMergedOcc 0
43 mol 227 unq 0 iso 1 dist 9.02226 6.92493 6.95902 8.27093 5.22356 8.17891 10.9533 10.8157 9.13836 7.09863 10.9396 8.65997 6.43754 7.22101 4.39704 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 5.46736 10.024 6.25105 10.8568 5.88703 7.85175 4.93623 6.56247 11.216 9.45496 11.7817 9.36357 11.4315 6.7625 7.82322 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 5.46736 10.024 6.25105 10.8568 5.88703 7.85175 11.7817 9.36357 11.4315 6.7625 4.93623 6.56247 11.216 9.45496 7.82322 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 15.6279 9.81562 11.8759 8.03456 13.7246 7.68742 11.3552 6.84306 5.79505 numMergedOcc 0
47 mol 236 unq 0 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 13.7246 7.68742 11.3552 6.84306 15.6279 9.81562 11.8759 8.03456 5.79505 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 15.6279 9.81562 11.8759 8.03456 10.5269 6.27581 6.04825 9.99038 9.90963 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 10.5269 6.27581 6.04825 9.99038 15.6279 9.81562 11.8759 8.03456 9.90963 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 15.6279 9.81562 11.8759 8.03456 16.5976 13.499 12.6468 9.78037 6.96005 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 16.5976 13.499 12.6468 9.78037 15.6279 9.81562 11.8759 8.03456 6.96005 numMergedOcc 0
52 mol 236 unq 3 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 15.6279 9.81562 11.8759 8.03456 7.41812 11.2141 6.40312 8.35971 14.2337 numMergedOcc 0
53 mol 236 unq 3 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 7.41812 11.2141 6.40312 8.35971 15.6279 9.81562 11.8759 8.03456 14.2337 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 13.7246 7.68742 11.3552 6.84306 10.5269 6.27581 6.04825 9.99038 11.3368 numMergedOcc 0
55 mol 236 unq 1 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 10.5269 6.27581 6.04825 9.99038 13.7246 7.68742 11.3552 6.84306 11.3368 numMergedOcc 0
56 mol 236 unq 2 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 13.7246 7.68742 11.3552 6.84306 16.5976 13.499 12.6468 9.78037 11.8739 numMergedOcc 0
57 mol 236 unq 2 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 16.5976 13.499 12.6468 9.78037 13.7246 7.68742 11.3552 6.84306 11.8739 numMergedOcc 0
58 mol 236 unq 3 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 13.7246 7.68742 11.3552 6.84306 7.41812 11.2141 6.40312 8.35971 14.7998 numMergedOcc 0
59 mol 236 unq 3 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 7.41812 11.2141 6.40312 8.35971 13.7246 7.68742 11.3552 6.84306 14.7998 numMergedOcc 0
60 mol 236 unq 2 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 10.5269 6.27581 6.04825 9.99038 16.5976 13.499 12.6468 9.78037 11.1557 numMergedOcc 0
61 mol 236 unq 2 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 16.5976 13.499 12.6468 9.78037 10.5269 6.27581 6.04825 9.99038 11.1557 numMergedOcc 0
62 mol 236 unq 3 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 10.5269 6.27581 6.04825 9.99038 7.41812 11.2141 6.40312 8.35971 10.7497 numMergedOcc 0
63 mol 236 unq 3 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 7.41812 11.2141 6.40312 8.35971 10.5269 6.27581 6.04825 9.99038 10.7497 numMergedOcc 0
64 mol 236 unq 3 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 16.5976 13.499 12.6468 9.78037 7.41812 11.2141 6.40312 8.35971 12.0369 numMergedOcc 0
65 mol 236 unq 3 iso 1 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 7.41812 11.2141 6.40312 8.35971 16.5976 13.499 12.6468 9.78037 12.0369 numMergedOcc 0
66 mol 276 unq 0 iso 0 dist 7.85804 7.32389 9.38971 12.5062 8.88126 8.76347 6.48311 10.1216 7.54851 9.8993 11.2477 12.3012 6.4102 6.87396 6.88557 numMergedOcc 0
67 mol 276 unq 0 iso 1 dist 7.85804 7.32389 9.38971 12.5062 8.88126 8.76347 11.2477 12.3012 6.4102 6.87396 6.48311 10.1216 7.54851 9.8993 6.88557 numMergedOcc 0
