0 mol 0 unq 0 iso 0 dist 7.65806 7.46173 6.50942 6.91778 9.15528 5.15929 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.60499 7.60712 14.0261 6.02702 8.43473 5.79279 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 6.7985 6.55304 5.82034 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.60499 7.5706 10.5551 6.44736 12.2869 5.28462 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.41585 6.28925 10.6847 9.68596 14.7759 5.82034 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 8.96553 5.89134 4.41134 8.53529 4.36226 6.38783 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 7.48342 4.39605 6.25997 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 9.97507 7.876 8.20465 7.48342 12.1303 6.25997 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 7.97324 6.63929 7.75618 4.96411 10.3824 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 4.54938 7.97324 8.33878 7.75618 9.74255 10.3824 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 6.864 7.97324 11.8689 7.75618 7.08342 10.3824 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 9.61998 7.72775 7.33768 4.32034 4.86245 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.86014 9.61998 7.72775 9.01567 8.67951 12.4877 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 6.86014 9.61998 7.72775 7.29868 8.52463 14.5906 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 8.80331 6.79185 11.1338 8.95682 6.18002 7.95596 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 6.20293 6.79185 5.54797 8.95682 8.38399 7.95596 numMergedOcc 0
16 mol 52 unq 0 iso 0 dist 9.80098 5.75761 6.55615 6.31696 11.6682 10.9229 numMergedOcc 0
17 mol 52 unq 1 iso 0 dist 7.34143 5.75761 9.64358 6.31696 6.66056 10.9229 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 6.83299 9.22021 8.17454 6.14538 4.29856 11.3729 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 8.8178 8.96978 8.39969 9.27838 15.434 10.2373 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 9.96708 8.96978 4.45372 9.27838 11.6378 10.2373 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 7.80975 7.97897 4.71426 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.17106 8.20656 8.07089 7.10378 10.6848 4.71426 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 6.52773 7.20179 7.03042 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.73993 6.69217 11.3981 9.23858 9.89358 10.0127 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 6.18601 9.70093 10.6133 8.00003 10.4376 4.2439 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 7.11802 9.64695 6.56917 9.22232 16.0138 15.8925 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 7.11802 9.64695 6.56917 9.22661 5.92062 12.4336 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 7.56378 6.61891 9.98416 numMergedOcc 0
29 mol 170 unq 0 iso 0 dist 9.76807 9.48574 10.9822 6.35982 4.34698 10.5942 numMergedOcc 0
30 mol 170 unq 1 iso 0 dist 9.76807 9.48574 10.9822 7.51126 5.75144 5.6109 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 5.94469 7.77758 11.0205 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 5.94469 12.5387 11.0205 numMergedOcc 0
33 mol 197 unq 0 iso 0 dist 8.56633 8.02386 8.98864 7.50013 8.46623 6.08776 numMergedOcc 0
34 mol 197 unq 1 iso 0 dist 8.56633 8.02386 8.98864 5.81233 10.7305 9.67405 numMergedOcc 0
35 mol 197 unq 2 iso 0 dist 8.56633 8.02386 8.98864 6.92924 5.41996 6.34927 numMergedOcc 0
36 mol 197 unq 3 iso 0 dist 8.56633 8.02386 8.98864 7.14306 6.64537 12.7634 numMergedOcc 0
37 mol 197 unq 4 iso 0 dist 8.56633 6.6259 6.24432 7.50013 8.46623 11.529 numMergedOcc 0
38 mol 197 unq 5 iso 0 dist 8.56633 6.6259 6.24432 5.81233 10.7305 11.1317 numMergedOcc 0
39 mol 197 unq 6 iso 0 dist 8.56633 6.6259 6.24432 6.92924 5.41996 6.01177 numMergedOcc 0
40 mol 197 unq 7 iso 0 dist 8.56633 6.6259 6.24432 7.14306 6.64537 4.09986 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.03031 6.52987 4.92241 6.03688 8.15057 7.69374 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 7.26832 6.52987 7.36565 6.03688 12.4957 7.69374 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 7.80463 6.52987 10.9417 6.03688 6.09749 7.69374 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 6.16414 6.45859 9.78738 numMergedOcc 0
45 mol 206 unq 1 iso 0 dist 7.7366 5.52084 9.81596 7.33701 4.40897 7.21306 numMergedOcc 0
46 mol 206 unq 2 iso 0 dist 7.7366 5.52084 9.81596 8.0871 7.62219 4.91529 numMergedOcc 0
47 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 9.81425 4.3717 10.8078 numMergedOcc 0
48 mol 234 unq 1 iso 0 dist 6.56247 7.72403 8.83842 9.81425 4.46561 10.8078 numMergedOcc 0
49 mol 234 unq 2 iso 0 dist 9.36357 7.72403 5.43327 9.81425 10.641 10.8078 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 8.41436 7.27632 10.6728 6.30154 7.44558 12.1933 numMergedOcc 0
51 mol 234 unq 4 iso 0 dist 8.41436 7.27632 10.6728 7.32499 10.7902 5.20198 numMergedOcc 0
52 mol 234 unq 5 iso 0 dist 8.92474 7.27632 5.3919 6.30154 10.9712 12.1933 numMergedOcc 0
53 mol 234 unq 6 iso 0 dist 8.92474 7.27632 5.3919 7.32499 4.4288 5.20198 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 6.16342 6.8597 9.26426 8.84636 4.30299 11.4483 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 9.01049 9.82018 11.528 8.49177 9.25493 5.91142 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 9.85289 6.20558 4.67674 numMergedOcc 0
57 mol 274 unq 1 iso 0 dist 7.56915 6.93875 8.83823 9.85289 6.20558 14.1093 numMergedOcc 0
58 mol 274 unq 2 iso 0 dist 7.56915 6.0868 9.51441 9.85289 6.20558 13.6948 numMergedOcc 0
59 mol 274 unq 3 iso 0 dist 7.56915 6.32856 11.5556 9.85289 6.20558 13.6849 numMergedOcc 0
60 mol 274 unq 4 iso 0 dist 8.49997 6.92434 8.58007 9.85289 11.4459 4.67674 numMergedOcc 0
61 mol 274 unq 5 iso 0 dist 8.49997 6.93875 5.66046 9.85289 11.4459 14.1093 numMergedOcc 0
62 mol 274 unq 6 iso 0 dist 8.49997 6.0868 10.1323 9.85289 11.4459 13.6948 numMergedOcc 0
63 mol 274 unq 7 iso 0 dist 8.49997 6.32856 13.5073 9.85289 11.4459 13.6849 numMergedOcc 0
