0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 4.65291 5.99459 6.88805 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 5.36937 6.03847 9.58196 3.80208 8.84686 5.76302 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 3.83262 6.42835 5.01101 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.30471 6.88552 5.05803 5.7598 6.57331 4.65873 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 5.40533 9.95132 8.27828 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 7.7654 9.47656 8.90863 4.70443 7.48086 7.80499 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 10.7546 7.57295 7.80499 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 7.15352 11.0491 9.25011 10.7546 7.57295 5.6397 numMergedOcc 0
8 mol 60 unq 4 iso 0 dist 7.15352 4.80738 6.43294 10.7546 7.57295 8.62476 numMergedOcc 0
9 mol 60 unq 5 iso 0 dist 7.15352 6.28337 8.52121 10.7546 7.57295 6.55502 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.75668 7.26966 9.67592 11.5793 9.86334 5.16015 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 6.53445 6.21799 7.47371 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 6.27856 5.03251 9.67587 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 8.4143 13.7926 9.78528 11.2873 7.66093 7.07356 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 11.3963 7.7068 6.36397 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 11.3963 7.7068 4.41789 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 11.3963 7.7068 5.59906 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 9.64673 12.0894 7.27724 10.6733 9.3948 3.94537 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 9.64673 12.0894 7.27724 15.954 9.74607 6.12605 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 10.6733 9.3948 11.3215 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 15.954 9.74607 5.06946 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 9.45977 7.07971 4.69373 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 6.27754 6.24825 6.95773 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 6.27754 6.24825 6.01673 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 8.75778 9.00329 8.37808 4.06619 6.00603 6.15636 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 11.7456 5.58833 9.00231 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 7.04681 5.58833 9.00231 numMergedOcc 0
27 mol 129 unq 2 iso 0 dist 8.00624 15.4586 8.54584 6.31483 5.51197 12.1739 numMergedOcc 0
28 mol 129 unq 3 iso 0 dist 8.00624 15.4586 8.54584 14.6258 8.86944 5.63254 numMergedOcc 0
29 mol 129 unq 4 iso 0 dist 8.00624 15.4586 8.54584 9.82512 6.69691 8.26896 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.16358 10.0911 8.94367 7.07082 7.21868 8.06642 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.16358 9.66197 9.86662 7.07082 7.21868 4.00092 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.80637 9.33924 6.95573 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 6.48328 10.0911 6.37586 7.07082 7.93372 8.06642 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 6.48328 9.66197 9.71307 9.80637 9.33924 10.2026 numMergedOcc 0
35 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 7.07082 7.93372 4.00092 numMergedOcc 0
36 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 11.4463 9.11204 8.44333 numMergedOcc 0
37 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 11.4463 9.11204 6.8202 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 11.4463 9.11204 14.9499 numMergedOcc 0
39 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 11.4463 9.11204 14.2467 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 14.13 7.9133 10.7169 numMergedOcc 0
41 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 14.13 7.9133 5.57347 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 10.3649 6.52816 9.49403 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 10.3649 6.52816 13.514 numMergedOcc 0
44 mol 205 unq 2 iso 0 dist 8.52924 9.67882 7.80463 10.3649 6.52816 3.56269 numMergedOcc 0
45 mol 205 unq 3 iso 0 dist 6.94789 6.98812 9.61492 6.16492 6.49765 10.6504 numMergedOcc 0
46 mol 205 unq 4 iso 0 dist 6.94789 12.019 7.45763 6.16492 6.49765 8.67921 numMergedOcc 0
47 mol 205 unq 5 iso 0 dist 6.23932 13.4557 9.61492 9.99561 6.49765 10.6504 numMergedOcc 0
48 mol 205 unq 6 iso 0 dist 6.23932 4.37383 7.45763 9.99561 6.49765 8.67921 numMergedOcc 0
49 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 14.5969 7.46481 11.4955 numMergedOcc 0
50 mol 214 unq 1 iso 0 dist 9.92165 6.83063 7.14453 14.5969 7.46481 8.459 numMergedOcc 0
51 mol 214 unq 2 iso 0 dist 9.92165 12.7439 8.85478 14.5969 7.46481 11.1534 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 4.54951 6.74196 8.84507 numMergedOcc 0
53 mol 222 unq 1 iso 0 dist 6.77368 8.47937 6.00706 10.5815 8.36842 6.02502 numMergedOcc 0
54 mol 222 unq 2 iso 0 dist 6.77368 8.47937 6.00706 10.7456 9.75472 5.18677 numMergedOcc 0
55 mol 222 unq 3 iso 0 dist 6.77368 10.4837 7.54212 4.54951 6.74196 12.8595 numMergedOcc 0
56 mol 222 unq 4 iso 0 dist 6.77368 10.4837 7.54212 10.5815 8.36842 12.5866 numMergedOcc 0
57 mol 222 unq 5 iso 0 dist 6.77368 10.4837 7.54212 10.7456 9.75472 11.9567 numMergedOcc 0
58 mol 222 unq 6 iso 0 dist 7.73634 4.81992 6.00706 11.1253 6.74196 8.84507 numMergedOcc 0
59 mol 222 unq 7 iso 0 dist 7.73634 4.81992 6.00706 5.10026 8.36842 6.02502 numMergedOcc 0
60 mol 222 unq 8 iso 0 dist 7.73634 4.81992 6.00706 5.90399 9.75472 5.18677 numMergedOcc 0
61 mol 222 unq 9 iso 0 dist 7.73634 9.69122 7.54212 11.1253 6.74196 12.8595 numMergedOcc 0
62 mol 222 unq 10 iso 0 dist 7.73634 9.69122 7.54212 5.10026 8.36842 12.5866 numMergedOcc 0
63 mol 222 unq 11 iso 0 dist 7.73634 9.69122 7.54212 5.90399 9.75472 11.9567 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 5.92282 5.23634 5.0317 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 8.27093 10.9533 7.09863 5.92282 5.23634 5.83175 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 5.92282 6.91318 5.0317 numMergedOcc 0
67 mol 236 unq 0 iso 0 dist 9.44496 7.41812 8.04248 10.7395 8.23087 4.66414 numMergedOcc 0
68 mol 236 unq 1 iso 0 dist 7.87233 15.6279 9.81562 16.5242 9.3206 4.27181 numMergedOcc 0
69 mol 236 unq 2 iso 0 dist 7.87233 13.7246 7.68742 16.5242 9.3206 4.89609 numMergedOcc 0
70 mol 236 unq 3 iso 0 dist 7.87233 10.5269 6.27581 16.5242 9.3206 10.5774 numMergedOcc 0
71 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 7.90253 9.59325 12.2939 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 4.81916 7.94155 9.7748 9.31926 9.35539 11.4555 numMergedOcc 0
73 mol 277 unq 1 iso 0 dist 4.81916 7.94155 9.7748 13.1828 8.9682 17.6038 numMergedOcc 0
74 mol 277 unq 2 iso 0 dist 4.81916 7.94155 9.7748 10.6994 6.92711 14.772 numMergedOcc 0
75 mol 280 unq 0 iso 0 dist 5.41639 8.26589 6.53701 4.06908 6.02353 4.90315 numMergedOcc 0
76 mol 280 unq 1 iso 0 dist 7.96485 8.26589 6.0664 4.06908 6.86234 4.90315 numMergedOcc 0
