0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 12.8949 6.92781 6.31718 15.1225 12.5273 10.8455 7.63133 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 13.0519 10.4091 7.34551 7.20519 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 7.64353 4.51865 5.80928 6.864 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 13.0519 10.4091 7.07775 7.20519 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 13.3276 8.4674 5.80928 4.54938 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 16.069 12.5077 6.44287 8.38394 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 17.4032 14.7803 8.13395 8.80331 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 6.66557 10.0828 4.73512 9.25011 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 13.2515 11.5843 10.6819 6.43294 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 10.9198 12.4757 8.93946 8.52121 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 5.53037 9.84449 10.7394 8.8178 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 14.3639 5.42586 7.97049 15.3279 7.66905 6.9948 7.47541 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 14.3639 5.42586 7.47541 9.9705 6.19965 6.9948 7.97049 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 18.5071 12.0662 8.8807 7.47343 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 10.3954 9.35224 7.80879 6.56369 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 13.2084 10.5853 5.38414 9.30209 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 18.5071 12.0662 12.6515 7.47343 numMergedOcc 0
17 mol 100 unq 4 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 14.9329 9.60661 7.80879 6.65086 numMergedOcc 0
18 mol 100 unq 5 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 13.2084 10.5853 6.39938 9.30209 numMergedOcc 0
19 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 12.0206 10.5134 11.5403 7.17106 numMergedOcc 0
20 mol 100 unq 7 iso 0 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 4.95357 6.56369 7.80879 9.35224 numMergedOcc 0
21 mol 100 unq 8 iso 0 dist 9.22737 4.95357 6.56369 12.7823 5.88134 9.35224 6.60925 6.65086 7.80879 9.60661 numMergedOcc 0
22 mol 100 unq 9 iso 0 dist 9.22737 4.95357 6.56369 12.7823 5.88134 9.35224 12.0206 10.5134 8.87654 7.17106 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 4.75197 5.83991 7.69052 7.88312 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 10.9791 9.33865 7.69052 6.11741 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 13.3831 13.268 8.18495 7.11802 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.1146 11.0256 7.11802 15.6213 8.18495 8.00618 18.5944 13.268 11.965 6.29155 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 9.1146 11.0256 7.11802 15.6213 8.18495 8.00618 18.0077 12.6651 7.79672 6.80239 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 12.2198 12.5075 6.81259 9.86662 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 12.2198 12.5075 6.81259 9.71307 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 9.66197 9.86662 6.81259 9.71307 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 14.537 11.9139 5.00526 6.54501 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 10.0911 8.94367 6.81259 6.37586 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 9.66197 9.71307 6.81259 9.86662 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 14.537 9.5126 5.00526 6.54501 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 10.0911 6.37586 6.81259 8.94367 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.7313 5.42328 5.87555 11.2124 7.16148 5.49936 8.87437 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 12.3711 6.4896 8.67331 11.2124 7.16148 5.49936 8.05741 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 13.7313 5.42328 8.87437 13.793 6.70283 5.49936 5.87555 numMergedOcc 0
39 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 12.3711 6.4896 8.05741 13.793 6.70283 5.49936 8.67331 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 8.95375 5.63422 9.774 6.84704 11.1804 10.4 8.02137 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 11.5265 4.70378 6.57273 15.8606 9.99123 5.0744 6.60589 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 15.8606 9.99123 5.0744 9.16166 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 18.1824 14.0676 5.60236 5.81334 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 8.05007 9.99123 4.70378 8.95269 numMergedOcc 0
45 mol 224 unq 4 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 11.8641 9.16166 8.49799 5.78342 numMergedOcc 0
46 mol 224 unq 5 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 8.05007 9.99123 11.5372 8.95269 numMergedOcc 0
47 mol 224 unq 6 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 4.93626 6.60589 8.49799 6.57273 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 10.9533 10.8157 4.39704 7.09863 numMergedOcc 0
49 mol 227 unq 1 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 9.18897 10.0334 4.39704 7.09863 numMergedOcc 0
50 mol 229 unq 0 iso 0 dist 8.68804 6.36273 9.06952 11.2048 6.84129 7.03423 11.8327 13.2905 5.57838 8.22528 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 10.8568 5.88703 9.45496 11.7817 9.36357 7.82322 6.7625 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 10.8568 5.88703 6.7625 4.93623 6.56247 7.82322 9.45496 numMergedOcc 0
53 mol 236 unq 0 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 15.6279 15.1853 14.2337 8.03456 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 13.7246 13.5269 14.7998 6.84306 numMergedOcc 0
55 mol 236 unq 2 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 10.5269 15.7308 10.7497 9.99038 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 9.44496 7.41812 8.04248 9.13551 7.43758 8.35971 16.5976 14.9122 12.0369 9.78037 numMergedOcc 0
57 mol 236 unq 4 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 9.63949 7.68742 7.28249 9.81562 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 9.63949 7.68742 7.28249 6.27581 numMergedOcc 0
59 mol 236 unq 6 iso 0 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 7.99081 13.5269 7.43758 8.04248 numMergedOcc 0
60 mol 236 unq 7 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 5.03564 6.84306 7.28249 8.03456 numMergedOcc 0
61 mol 236 unq 8 iso 0 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 5.03564 6.84306 7.28249 9.99038 numMergedOcc 0
62 mol 236 unq 9 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 13.7246 7.68742 5.79505 6.84306 numMergedOcc 0
63 mol 236 unq 10 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 10.5269 6.27581 9.90963 9.99038 numMergedOcc 0
64 mol 236 unq 11 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 16.5976 13.499 6.96005 9.78037 numMergedOcc 0
65 mol 236 unq 12 iso 0 dist 7.87233 15.6279 9.81562 9.13551 7.28249 8.03456 7.41812 11.2141 14.2337 8.35971 numMergedOcc 0
66 mol 236 unq 13 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 15.6279 9.81562 5.79505 8.03456 numMergedOcc 0
67 mol 236 unq 14 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 10.5269 6.27581 11.3368 9.99038 numMergedOcc 0
68 mol 236 unq 15 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 16.5976 13.499 11.8739 9.78037 numMergedOcc 0
69 mol 236 unq 16 iso 0 dist 7.87233 13.7246 7.68742 9.13551 7.28249 6.84306 7.41812 11.2141 14.7998 8.35971 numMergedOcc 0
70 mol 236 unq 17 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 15.6279 9.81562 9.90963 8.03456 numMergedOcc 0
71 mol 236 unq 18 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 13.7246 7.68742 11.3368 6.84306 numMergedOcc 0
72 mol 236 unq 19 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 16.5976 13.499 11.1557 9.78037 numMergedOcc 0
73 mol 236 unq 20 iso 0 dist 7.87233 10.5269 6.27581 9.13551 7.28249 9.99038 7.41812 11.2141 10.7497 8.35971 numMergedOcc 0
74 mol 236 unq 21 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 7.45579 6.27581 7.28249 9.81562 numMergedOcc 0
75 mol 236 unq 22 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 7.45579 6.27581 7.28249 7.68742 numMergedOcc 0
76 mol 236 unq 23 iso 0 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 19.8999 15.7308 7.43758 8.04248 numMergedOcc 0
77 mol 236 unq 24 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 13.6195 9.99038 7.28249 8.03456 numMergedOcc 0
78 mol 236 unq 25 iso 0 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 13.6195 9.99038 7.28249 6.84306 numMergedOcc 0
79 mol 261 unq 0 iso 0 dist 9.77784 5.09097 7.73141 5.00128 10.1239 8.43057 9.40373 14.2688 10.0727 8.02547 numMergedOcc 0
80 mol 261 unq 1 iso 0 dist 9.77784 5.09097 7.73141 5.00128 10.1239 8.43057 4.86901 10.0703 4.63549 6.05727 numMergedOcc 0
