0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 12.8949 6.92781 6.31718 10.3757 7.03948 6.2983 5.47769 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 16.5778 13.4721 10.9543 8.78293 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 19.8589 14.6255 6.55187 8.23643 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 10.26 6.20943 5.14627 7.82528 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.41045 13.3276 8.4674 16.7413 10.3915 7.82074 19.8589 14.6255 6.55187 8.73972 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 16.5778 13.4721 11.4401 8.78293 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 19.8589 14.6255 12.3093 8.23643 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 10.26 6.20943 4.69858 7.82528 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 12.0685 13.7177 9.49077 9.83618 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 13.991 11.9814 7.11552 6.77912 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 4.71183 6.58204 10.9608 7.75343 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 4.71183 6.58204 5.69137 7.75343 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 10.2716 7.75343 10.9608 6.58204 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 9.22737 4.95357 6.56369 12.7823 5.88134 9.35224 10.2716 7.75343 5.69137 6.58204 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 16.3106 13.9977 10.8292 6.99777 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 6.67783 9.65429 6.12943 9.14376 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 16.3106 13.9977 11.7126 6.99777 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 6.67783 9.65429 4.62962 9.14376 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 18.018 17.2931 12.2037 7.92688 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 10.0815 8.6355 5.41704 8.79571 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 10.0815 8.6355 5.41704 5.42582 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 5.0903 8.79571 5.41704 5.42582 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 5.0903 8.79571 5.41704 8.6355 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 5.0903 8.79571 6.17103 5.42582 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 5.0903 5.42582 5.41704 8.79571 numMergedOcc 0
25 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 5.0903 5.42582 5.41704 8.6355 numMergedOcc 0
26 mol 134 unq 7 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 5.0903 5.42582 6.17103 8.79571 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 12.3863 11.4148 4.80231 6.93764 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 11.5265 4.70378 6.57273 10.7068 6.67585 5.29877 6.65984 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 11.3112 10.8259 7.12232 6.87664 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 11.3112 10.8259 5.3621 6.87664 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 9.72888 13.4493 14.6185 9.62609 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 6.92493 8.17891 6.43754 6.95902 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 21.4948 15.9414 11.662 8.83563 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 6.92493 6.95902 6.43754 8.17891 numMergedOcc 0
35 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 21.4948 18.8667 11.662 8.83563 numMergedOcc 0
36 mol 227 unq 5 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 15.2096 12.8864 6.43754 8.17891 numMergedOcc 0
37 mol 227 unq 6 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 23.6794 19.8174 14.6185 9.62609 numMergedOcc 0
38 mol 227 unq 7 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 15.2096 12.8864 6.43754 6.95902 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 10.8568 5.88703 9.45496 14.9467 10.3388 15.9563 9.5707 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 10.8568 5.88703 9.45496 10.024 6.25105 11.216 7.85175 numMergedOcc 0
41 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 10.8568 5.88703 6.7625 14.9467 10.3388 14.4106 9.5707 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 5.46736 11.7817 9.36357 10.8568 5.88703 6.7625 10.024 6.25105 11.4315 7.85175 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 4.71339 10.6445 6.40312 7.17676 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 11.3543 10.5433 6.2568 6.68463 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 4.71339 5.34718 11.8759 7.17676 numMergedOcc 0
46 mol 236 unq 3 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 11.3543 10.5713 9.07822 6.68463 numMergedOcc 0
47 mol 236 unq 4 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 4.71339 5.34718 11.3552 7.17676 numMergedOcc 0
48 mol 236 unq 5 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 11.3543 10.5713 11.6837 6.68463 numMergedOcc 0
49 mol 236 unq 6 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 4.71339 5.34718 6.04825 7.17676 numMergedOcc 0
50 mol 236 unq 7 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 11.3543 10.5713 8.8265 6.68463 numMergedOcc 0
