0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 7.29541 5.72491 5.44992 8.75346 9.67164 13.156 8.0744 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 6.43155 7.55766 12.4713 4.95319 5.65084 12.6536 4.8604 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.39243 9.30561 7.3094 6.43155 7.55766 6.48196 4.95319 5.65084 9.36767 4.8604 numMergedOcc 0
3 mol 18 unq 2 iso 0 dist 9.1715 17.8306 9.51761 10.2305 7.55766 12.4713 6.19959 5.65084 12.6536 4.8604 numMergedOcc 0
4 mol 18 unq 3 iso 0 dist 9.1715 14.3582 7.3094 10.2305 7.55766 6.48196 6.19959 5.65084 9.36767 4.8604 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 12.0268 8.09311 11.6226 9.94429 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 9.10781 9.05357 13.1949 6.88355 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 12.0268 8.09311 6.17155 9.94429 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 9.10781 9.05357 10.3122 6.88355 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 6.06832 5.81959 7.63409 11.9503 7.6114 6.10919 11.4877 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 6.06832 5.81959 8.4666 11.9503 7.6114 5.86705 11.4877 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 8.33667 9.93832 9.06158 4.9903 6.6263 5.41726 4.55347 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 6.5705 6.77886 6.03623 12.9131 9.03564 6.75591 10.5332 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 15.7072 8.68662 6.20232 10.9746 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 15.2252 7.4369 5.70116 7.8972 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 6.52486 5.5087 11.2069 5.50891 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 10.9731 6.08682 10.6713 4.75954 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 6.52486 5.5087 11.2069 7.50869 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 10.9731 6.08682 10.6713 3.6807 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 13.0059 5.5087 11.2069 5.50891 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 14.1533 6.08682 10.6713 4.75954 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 13.0059 5.5087 11.2069 7.50869 numMergedOcc 0
22 mol 73 unq 9 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 14.1533 6.08682 10.6713 3.6807 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 9.57933 9.00544 11.8512 10.5559 7.82475 5.43561 11.3766 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 9.57933 9.00544 11.8512 11.1947 5.35782 6.30222 10.5056 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 8.92577 6.89293 6.45675 7.04774 7.12017 9.52882 10.5559 7.82475 5.43561 13.4027 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 8.92577 6.89293 6.45675 7.04774 7.12017 9.52882 11.1947 5.35782 6.30222 12.068 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 10.5559 7.82475 5.9143 11.3766 numMergedOcc 0
28 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 11.1947 5.35782 5.47563 10.5056 numMergedOcc 0
29 mol 100 unq 6 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 10.5559 7.82475 5.9143 13.4027 numMergedOcc 0
30 mol 100 unq 7 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 11.1947 5.35782 5.47563 12.068 numMergedOcc 0
31 mol 100 unq 8 iso 0 dist 8.92577 12.7188 8.86688 9.57933 9.00544 9.01214 10.5559 7.82475 5.25234 11.3766 numMergedOcc 0
32 mol 100 unq 9 iso 0 dist 8.92577 12.7188 8.86688 9.57933 9.00544 9.01214 11.1947 5.35782 5.03232 10.5056 numMergedOcc 0
33 mol 100 unq 10 iso 0 dist 8.92577 12.7188 8.86688 7.04774 7.12017 14.8674 10.5559 7.82475 5.25234 13.4027 numMergedOcc 0
34 mol 100 unq 11 iso 0 dist 8.92577 12.7188 8.86688 7.04774 7.12017 14.8674 11.1947 5.35782 5.03232 12.068 numMergedOcc 0
35 mol 100 unq 12 iso 0 dist 9.56324 15.1093 6.45675 6.95888 9.00544 11.8512 15.353 7.82475 5.43561 11.3766 numMergedOcc 0
36 mol 100 unq 13 iso 0 dist 9.56324 15.1093 6.45675 6.95888 9.00544 11.8512 12.9628 5.35782 6.30222 10.5056 numMergedOcc 0
37 mol 100 unq 14 iso 0 dist 9.56324 15.1093 6.45675 10.3606 7.12017 9.52882 15.353 7.82475 5.43561 13.4027 numMergedOcc 0
38 mol 100 unq 15 iso 0 dist 9.56324 15.1093 6.45675 10.3606 7.12017 9.52882 12.9628 5.35782 6.30222 12.068 numMergedOcc 0
39 mol 100 unq 16 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 15.353 7.82475 5.9143 11.3766 numMergedOcc 0
40 mol 100 unq 17 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 12.9628 5.35782 5.47563 10.5056 numMergedOcc 0
41 mol 100 unq 18 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 15.353 7.82475 5.9143 13.4027 numMergedOcc 0
42 mol 100 unq 19 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 12.9628 5.35782 5.47563 12.068 numMergedOcc 0
43 mol 100 unq 20 iso 0 dist 9.56324 13.0353 8.86688 6.95888 9.00544 9.01214 15.353 7.82475 5.25234 11.3766 numMergedOcc 0
44 mol 100 unq 21 iso 0 dist 9.56324 13.0353 8.86688 6.95888 9.00544 9.01214 12.9628 5.35782 5.03232 10.5056 numMergedOcc 0
45 mol 100 unq 22 iso 0 dist 9.56324 13.0353 8.86688 10.3606 7.12017 14.8674 15.353 7.82475 5.25234 13.4027 numMergedOcc 0
46 mol 100 unq 23 iso 0 dist 9.56324 13.0353 8.86688 10.3606 7.12017 14.8674 12.9628 5.35782 5.03232 12.068 numMergedOcc 0
47 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 9.01694 5.34214 9.14441 10.5361 7.07971 4.69373 6.8409 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 8.9683 8.56342 4.91132 12.6962 7.64052 9.68677 6.29394 numMergedOcc 0
49 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 5.50673 6.37542 6.08167 12.6962 7.64052 9.68677 9.64502 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 11.8905 8.86329 5.89022 9.88758 9.27976 3.98662 5.30999 numMergedOcc 0
51 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 5.19262 5.23634 5.0317 7.3164 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 11.2986 8.38865 12.9587 5.19262 5.23634 5.83175 7.3164 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 16.7146 7.83711 8.25884 13.3209 6.71524 5.10213 8.03712 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 6.8902 12.3593 9.17653 5.86656 6.14323 13.0621 9.58347 8.29262 10.7813 5.82131 numMergedOcc 0
