0 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 7.29541 10.0158 5.72491 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.79533 9.31271 16.5607 9.3765 17.4819 9.58855 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 6.43155 11.1909 7.55766 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.29216 9.1715 4.96555 10.2305 11.1909 7.55766 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.16345 8.21595 5.59189 5.77009 5.19692 8.7817 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 5.16345 9.60744 7.78507 5.77009 5.19692 7.55415 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 8.33667 15.1191 9.93832 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 11.8848 15.1166 9.66501 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 6.86785 7.1203 6.55558 8.65709 12.1388 9.66501 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 16.0036 13.0088 8.73253 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.40844 8.124 5.44275 16.0036 10.5067 8.73253 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.99156 8.124 8.0624 16.0036 14.8476 8.73253 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.02351 8.16299 11.2674 11.9686 17.0516 8.85586 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 7.02351 8.16299 11.2674 11.4934 12.9368 7.11 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87856 7.00285 9.94628 10.8678 10.8121 5.88354 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.2491 7.00285 5.39087 10.8678 11.2452 5.88354 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 3.59451 8.02354 5.39087 13.5865 11.2452 5.88354 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 8.26758 6.26542 10.844 7.63357 12.9581 8.8368 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 6.89245 12.4974 7.77116 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 9.07096 7.85527 11.2951 8.79034 16.1931 6.98934 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 9.07096 7.85527 11.2951 5.53632 13.5527 7.99623 numMergedOcc 0
21 mol 124 unq 0 iso 0 dist 5.61764 6.35314 5.31501 4.85358 10.0179 8.58188 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 11.8905 7.5344 8.86329 numMergedOcc 0
23 mol 140 unq 0 iso 0 dist 9.74209 7.83582 12.1389 11.3235 14.6388 5.39064 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 7.97183 11.4006 6.69515 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 8.51265 9.47675 10.4653 7.97183 11.4006 7.86572 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 6.41916 9.47932 9.7586 14.3725 13.6617 6.29767 numMergedOcc 0
27 mol 212 unq 1 iso 0 dist 6.41916 9.47932 9.7586 11.0448 14.7241 8.74585 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 5.98076 4.851 8.31343 11.3699 11.6289 9.20961 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 6.71715 6.50846 5.45036 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 10.938 14.8113 9.97586 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 7.26742 12.5498 7.862 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 8.14937 14.5658 5.87815 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 10.1088 10.3524 6.41286 numMergedOcc 0
34 mol 230 unq 1 iso 0 dist 6.73755 5.62804 5.26217 10.1088 10.4504 6.41286 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 9.78444 8.7017 7.87566 5.71442 13.5774 8.67805 numMergedOcc 0
36 mol 251 unq 0 iso 0 dist 8.84041 7.54763 6.07836 8.51564 11.9159 8.01198 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 12.2193 14.7484 7.99477 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 6.59521 8.21585 9.22664 8.45446 13.7217 7.86627 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.94705 6.36173 4.54581 6.35113 11.5937 7.52109 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.94705 6.36173 4.54581 5.54474 10.0367 7.44083 numMergedOcc 0
