0 mol 14 unq 0 iso 0 dist 5.36937 6.03847 9.58196 3.80208 8.84686 5.76302 8.82819 5.53425 9.7022 11.9706 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 5.36937 6.03847 9.58196 3.80208 8.84686 5.76302 5.99703 4.53725 9.04767 9.6726 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 3.83262 6.42835 5.01101 12.8949 6.92781 6.31718 11.0298 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.30471 6.88552 5.05803 5.7598 6.57331 4.65873 12.8949 6.92781 6.31718 8.43054 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 5.40533 9.95132 8.27828 10.8421 6.54743 6.65595 12.544 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 7.7654 9.47656 8.90863 4.70443 7.48086 7.80499 10.8421 6.54743 6.65595 7.57295 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 10.7546 7.57295 7.80499 13.4319 6.54743 8.90863 7.48086 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 7.15352 4.80738 6.43294 10.7546 7.57295 8.62476 12.4311 10.1562 8.33063 12.8147 numMergedOcc 0
8 mol 60 unq 4 iso 0 dist 7.15352 4.80738 6.43294 10.7546 7.57295 8.62476 11.7612 5.67502 8.7531 8.4312 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 6.53445 6.21799 7.47371 8.21743 8.24309 9.96708 7.12321 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 6.27856 5.03251 9.67587 8.21743 8.24309 9.96708 9.35457 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 8.4143 13.7926 9.78528 11.2873 7.66093 7.07356 8.21743 8.24309 9.96708 12.1131 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 11.3963 7.7068 4.41789 14.3639 5.42586 7.97049 10.2413 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 11.3963 7.7068 5.59906 14.3639 5.42586 7.47541 10.2413 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 11.3963 7.7068 5.59906 19.3849 10.1164 5.73196 11.2056 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 10.6733 9.3948 11.3215 25.1398 16.6055 9.03572 19.7448 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 10.6733 9.3948 11.3215 22.565 13.8105 8.83255 19.9408 numMergedOcc 0
17 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 15.954 9.74607 5.06946 25.1398 16.6055 9.03572 11.97 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 15.954 9.74607 5.06946 22.565 13.8105 8.83255 13.5721 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 6.27754 6.24825 6.95773 12.4685 8.02349 6.11741 10.0255 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 6.27754 6.24825 6.01673 9.26923 10.8507 7.30858 13.22 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 6.27754 6.24825 6.01673 12.4685 8.02349 7.88312 10.0255 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 11.7456 5.58833 9.00231 11.3703 9.05135 9.61051 14.5521 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 7.04681 5.58833 9.00231 12.0652 9.05135 9.61051 14.5521 numMergedOcc 0
24 mol 129 unq 2 iso 0 dist 8.00624 15.4586 8.54584 6.31483 5.51197 12.1739 11.5175 4.61027 8.53613 9.97604 numMergedOcc 0
25 mol 129 unq 3 iso 0 dist 8.00624 15.4586 8.54584 14.6258 8.86944 5.63254 11.5175 4.61027 8.53613 11.1246 numMergedOcc 0
26 mol 129 unq 4 iso 0 dist 8.00624 15.4586 8.54584 9.82512 6.69691 8.26896 11.5175 4.61027 8.53613 10.5979 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 9.16358 10.0911 8.94367 7.07082 7.21868 8.06642 6.48328 5.49782 6.37586 7.93372 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 7.07082 7.21868 8.06642 11.0053 8.80819 6.49416 11.988 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 7.07082 7.21868 4.00092 6.48328 5.49782 9.71307 7.93372 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 6.48328 10.0911 6.37586 9.80637 9.33924 6.95573 9.16358 5.49782 8.94367 13.9752 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 9.80637 9.33924 6.95573 11.0053 5.00817 6.49416 9.55584 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 6.48328 10.0911 6.37586 7.07082 7.93372 8.06642 9.16358 5.49782 8.94367 7.21868 numMergedOcc 0
33 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 7.07082 7.93372 8.06642 11.0053 5.00817 6.49416 11.988 numMergedOcc 0
34 mol 134 unq 7 iso 0 dist 6.48328 9.66197 9.71307 9.80637 9.33924 10.2026 9.16358 5.49782 9.86662 13.9752 numMergedOcc 0
35 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 7.07082 7.93372 4.00092 9.16358 5.49782 9.86662 7.21868 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 5.92282 5.23634 5.0317 14.9014 6.99063 9.34734 10.7855 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 5.92282 5.23634 5.0317 9.02226 5.22356 8.65997 6.91318 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 5.92282 5.23634 5.0317 16.5135 10.8658 7.56888 11.2661 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 8.27093 10.9396 7.22101 5.92282 5.23634 5.0317 18.1901 12.4689 7.55216 12.3663 numMergedOcc 0
40 mol 227 unq 4 iso 0 dist 9.02226 10.9396 8.65997 5.92282 6.91318 5.0317 14.9014 7.60506 9.34734 10.7855 numMergedOcc 0
41 mol 227 unq 5 iso 0 dist 9.02226 10.9396 8.65997 5.92282 6.91318 5.0317 8.27093 5.22356 7.22101 5.23634 numMergedOcc 0
42 mol 227 unq 6 iso 0 dist 9.02226 10.9396 8.65997 5.92282 6.91318 5.0317 16.5135 9.70012 7.56888 11.2661 numMergedOcc 0
43 mol 227 unq 7 iso 0 dist 9.02226 10.9396 8.65997 5.92282 6.91318 5.0317 18.1901 12.9332 7.55216 12.3663 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 9.44496 7.41812 8.04248 10.7395 8.23087 4.66414 9.13551 7.43758 8.35971 11.5798 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 7.87233 15.6279 9.81562 16.5242 9.3206 4.27181 9.13551 7.28249 8.03456 10.1317 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 7.87233 13.7246 7.68742 16.5242 9.3206 4.89609 9.13551 7.28249 6.84306 10.1317 numMergedOcc 0
47 mol 236 unq 3 iso 0 dist 7.87233 10.5269 6.27581 16.5242 9.3206 10.5774 9.13551 7.28249 9.99038 10.1317 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 7.90253 9.59325 12.2939 13.6353 7.03728 6.92774 14.6946 numMergedOcc 0
49 mol 273 unq 1 iso 0 dist 9.37841 9.71586 9.01049 7.90253 9.59325 12.2939 10.4633 8.05475 9.2983 15.4762 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 5.41639 8.26589 6.53701 4.06908 6.02353 4.90315 7.96485 5.51836 6.0664 6.86234 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 7.96485 8.26589 6.0664 4.06908 6.86234 4.90315 5.41639 5.51836 6.53701 6.02353 numMergedOcc 0
