0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 13.6767 9.19007 9.64573 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.20999 5.56011 7.65806 10.6033 9.56794 6.05328 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 7.29541 5.72491 5.44992 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 9.91124 7.3915 7.43529 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 9.3765 9.58855 10.6873 numMergedOcc 0
5 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 6.43155 7.55766 12.4713 numMergedOcc 0
6 mol 18 unq 1 iso 0 dist 6.39243 9.30561 7.3094 6.43155 7.55766 6.48196 numMergedOcc 0
7 mol 18 unq 2 iso 0 dist 9.1715 17.8306 9.51761 10.2305 7.55766 12.4713 numMergedOcc 0
8 mol 18 unq 3 iso 0 dist 9.1715 14.3582 7.3094 10.2305 7.55766 6.48196 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 6.06832 5.81959 7.63409 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 6.06832 5.81959 8.4666 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 6.81213 5.69955 10.6756 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 8.33667 9.93832 9.06158 numMergedOcc 0
15 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 11.8848 9.66501 4.88603 numMergedOcc 0
16 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 11.8848 9.66501 12.277 numMergedOcc 0
17 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 8.65709 9.66501 4.88603 numMergedOcc 0
18 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 8.65709 9.66501 12.277 numMergedOcc 0
19 mol 52 unq 4 iso 0 dist 7.70026 13.9113 7.34143 11.1113 9.9052 8.9759 numMergedOcc 0
20 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 6.5705 6.77886 6.03623 numMergedOcc 0
21 mol 59 unq 0 iso 0 dist 7.98444 8.50779 8.95999 6.75062 9.44501 7.29086 numMergedOcc 0
22 mol 70 unq 0 iso 0 dist 7.63663 14.2824 9.65964 6.69775 6.54023 9.03317 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 14.9908 7.26086 7.32662 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 14.9908 7.26086 13.4985 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 14.9908 7.26086 6.934 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 9.57933 9.00544 11.8512 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 7.04774 7.12017 9.52882 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 8.92577 12.7188 8.86688 9.57933 9.00544 9.01214 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 8.92577 12.7188 8.86688 7.04774 7.12017 14.8674 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 6.95888 9.00544 11.8512 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 10.3606 7.12017 9.52882 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 9.56324 13.0353 8.86688 6.95888 9.00544 9.01214 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 9.56324 13.0353 8.86688 10.3606 7.12017 14.8674 numMergedOcc 0
43 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 9.01694 5.34214 9.14441 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 6.89245 7.77116 3.78311 numMergedOcc 0
45 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 8.9683 8.56342 4.91132 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 8.62648 4.6251 8.73993 5.50673 6.37542 6.08167 numMergedOcc 0
47 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 11.8905 8.86329 5.89022 numMergedOcc 0
48 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 numMergedOcc 0
49 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 5.98568 5.53031 5.35679 numMergedOcc 0
50 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 5.98568 5.53031 8.46636 numMergedOcc 0
51 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 6.37333 5.60393 5.28092 numMergedOcc 0
52 mol 210 unq 0 iso 0 dist 8.71409 12.9212 6.18308 3.99796 5.37446 9.59996 numMergedOcc 0
53 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.71715 5.45036 6.17628 numMergedOcc 0
54 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 10.938 9.97586 14.0253 numMergedOcc 0
55 mol 220 unq 2 iso 0 dist 6.21273 6.29601 8.24498 6.71715 5.45036 10.4136 numMergedOcc 0
56 mol 220 unq 3 iso 0 dist 6.21273 6.29601 8.24498 10.938 9.97586 6.20511 numMergedOcc 0
57 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 7.26742 7.862 6.42798 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 numMergedOcc 0
59 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 11.2986 8.38865 12.9587 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 numMergedOcc 0
61 mol 230 unq 0 iso 0 dist 5.62804 6.33989 6.7547 10.1088 6.41286 6.20661 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 16.7146 7.83711 8.25884 numMergedOcc 0
63 mol 253 unq 0 iso 0 dist 8.68368 8.25257 6.73034 14.7937 9.66465 6.89124 numMergedOcc 0
64 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 7.43645 9.53063 6.6525 numMergedOcc 0
65 mol 258 unq 1 iso 0 dist 8.9706 6.50871 6.42289 7.43645 9.53063 5.27959 numMergedOcc 0
66 mol 258 unq 2 iso 0 dist 8.21585 5.13233 6.42289 12.2193 7.99477 7.42673 numMergedOcc 0
67 mol 258 unq 3 iso 0 dist 8.21585 5.13233 6.42289 8.45446 7.86627 6.44209 numMergedOcc 0
68 mol 264 unq 0 iso 0 dist 6.8902 12.3593 9.17653 5.86656 6.14323 13.0621 numMergedOcc 0
69 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 11.4436 9.19033 10.26 numMergedOcc 0
70 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 11.4436 9.19033 13.5034 numMergedOcc 0
71 mol 294 unq 0 iso 0 dist 5.18789 5.57044 8.15665 6.60365 9.13907 5.25615 numMergedOcc 0
