0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 10.3757 7.03948 6.2983 12.8949 6.92781 6.31718 5.47769 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 13.3505 7.67038 4.54938 7.82528 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 16.7413 10.3915 7.82074 10.2708 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 13.3505 7.67038 6.864 7.82528 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 15.5112 10.0952 8.86116 12.4274 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 10.1053 9.83618 9.49077 12.7352 5.06502 5.73819 13.5377 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.1053 9.83618 9.49077 10.5813 6.45462 8.93915 13.7177 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 9.25208 8.24062 5.3525 18.0681 10.0246 6.85766 10.6318 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 7.14908 9.02278 11.6894 8.21743 8.24309 9.96708 12.0903 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 4.71183 6.58204 10.9608 11.1764 5.88134 6.65086 7.75343 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 4.71183 6.58204 5.69137 11.1764 5.88134 6.56369 7.75343 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 14.2807 5.33144 6.45675 11.8016 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 15.6365 10.1407 8.86688 15.6924 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 12.7823 5.88134 9.60661 6.58204 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 9.22737 4.95357 6.56369 10.2716 7.75343 5.69137 12.7823 5.88134 9.35224 6.58204 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 10.8105 7.76729 10.7942 12.4685 8.02349 6.11741 12.9821 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 9.26923 10.8507 7.30858 17.6696 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 12.4685 8.02349 7.88312 12.9821 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 6.61857 7.92688 12.2037 15.8406 11.965 6.29155 17.2931 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 6.61857 7.92688 12.2037 13.9771 7.79672 6.80239 15.1694 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 13.8807 5.79898 9.89303 12.0514 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 15.1513 8.80819 8.94367 8.79571 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 11.3169 5.00817 6.37586 5.42582 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 6.48328 5.49782 6.37586 5.42582 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 11.0053 8.80819 6.49416 8.6355 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 6.48328 5.49782 9.71307 5.42582 numMergedOcc 0
26 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 9.16358 5.49782 8.94367 8.79571 numMergedOcc 0
27 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 11.0053 5.00817 6.49416 8.6355 numMergedOcc 0
28 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 9.16358 5.49782 9.86662 8.79571 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 10.8622 9.13561 8.25411 13.7313 5.42328 5.87555 12.4808 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 10.8622 9.13561 8.25411 12.3711 6.4896 8.67331 14.1119 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 10.8622 9.13561 7.89109 13.7313 5.42328 8.87437 12.4808 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 10.8622 9.13561 7.89109 12.3711 6.4896 8.05741 14.1119 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 11.1074 8.85576 7.63312 10.1232 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 4.76056 7.06793 9.36098 11.5265 4.70378 6.57273 10.0414 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 4.76056 7.06793 9.36098 14.8623 11.5372 5.78342 12.7072 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 7.49783 12.8561 8.95269 10.7068 6.67585 5.29877 11.5265 4.70378 6.57273 6.65984 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 7.49783 12.8561 8.95269 10.7068 6.67585 5.29877 14.8623 11.5372 5.78342 10.667 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 14.9014 6.99063 9.34734 12.4085 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 9.02226 5.22356 8.65997 6.95902 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 16.5135 10.8658 7.56888 11.004 numMergedOcc 0
41 mol 227 unq 3 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 18.1901 12.4689 7.55216 12.8864 numMergedOcc 0
42 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 14.9014 7.60506 9.34734 17.0949 numMergedOcc 0
43 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 8.27093 5.22356 7.22101 13.4493 numMergedOcc 0
44 mol 227 unq 6 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 16.5135 9.70012 7.56888 16.5207 numMergedOcc 0
45 mol 227 unq 7 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 18.1901 12.9332 7.55216 19.8174 numMergedOcc 0
46 mol 227 unq 8 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 14.9014 7.60506 9.34734 12.4085 numMergedOcc 0
47 mol 227 unq 9 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 8.27093 5.22356 7.22101 8.17891 numMergedOcc 0
48 mol 227 unq 10 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 16.5135 9.70012 7.56888 11.004 numMergedOcc 0
49 mol 227 unq 11 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 18.1901 12.9332 7.55216 12.8864 numMergedOcc 0
50 mol 227 unq 12 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 16.5049 9.51866 9.34734 14.4583 numMergedOcc 0
51 mol 227 unq 13 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 15.8356 12.4689 7.22101 15.9414 numMergedOcc 0
52 mol 227 unq 14 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 18.3506 12.9332 8.65997 18.8667 numMergedOcc 0
53 mol 227 unq 15 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 13.4874 4.48529 7.56888 12.9801 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 10.024 6.25105 11.216 10.8568 5.88703 9.45496 7.85175 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 10.024 6.25105 11.4315 10.8568 5.88703 6.7625 7.85175 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 4.71339 5.34718 11.8759 9.13551 7.28249 8.03456 7.17676 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 4.71339 5.34718 11.3552 9.13551 7.28249 6.84306 7.17676 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 4.71339 5.34718 6.04825 9.13551 7.28249 9.99038 7.17676 numMergedOcc 0
