0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 7.88748 9.81212 4.10578 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 4.88114 9.04027 7.03689 7.88748 9.81212 6.87439 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 9.12796 6.36157 8.60722 9.56016 6.51566 4.75733 numMergedOcc 0
3 mol 6 unq 1 iso 0 dist 6.1462 6.36157 8.54844 9.56016 8.56432 4.75733 numMergedOcc 0
4 mol 6 unq 2 iso 0 dist 8.17981 8.31647 5.59667 7.54484 9.62952 7.50895 numMergedOcc 0
5 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 9.96415 13.1033 4.65291 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 8.6745 4.86775 3.79709 numMergedOcc 0
7 mol 17 unq 1 iso 0 dist 9.26685 7.34681 9.4204 8.6745 4.86775 11.8805 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 9.50179 8.6232 5.89271 7.63222 6.55764 7.04837 numMergedOcc 0
9 mol 21 unq 1 iso 0 dist 6.72231 8.6232 5.10048 7.63222 3.5175 7.04837 numMergedOcc 0
10 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 9.64034 13.6509 5.97852 numMergedOcc 0
11 mol 29 unq 1 iso 0 dist 7.71924 5.36278 8.02814 8.26334 4.98274 11.1943 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 6.68961 10.9119 5.93341 numMergedOcc 0
13 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 6.68961 6.1565 5.93341 numMergedOcc 0
14 mol 51 unq 0 iso 0 dist 9.4097 8.84151 6.20413 7.73836 4.98392 5.2887 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 9.899 14.2457 4.63989 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 6.14248 8.66335 6.1999 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.07421 7.6453 5.06265 9.31543 5.04019 9.82512 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 7.07421 7.6453 5.06265 8.85652 4.79473 6.31483 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 8.34427 9.52061 7.12885 8.57774 13.2297 11.7456 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 8.15549 9.39389 10.8474 8.62632 12.032 7.69707 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 5.12189 9.2759 10.8516 5.9959 6.95933 4.85121 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 7.50126 9.2759 5.35551 5.9959 5.30466 4.85121 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 5.20195 4.77133 7.45747 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 5.20195 4.56331 7.45747 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 9.53944 8.38939 5.47558 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 6.51243 5.09521 3.95884 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 9.67711 12.6471 10.9652 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 8.39573 5.71744 3.97523 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.47689 9.40718 5.15002 8.39573 5.71744 9.76508 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 8.63649 10.6592 4.4227 numMergedOcc 0
31 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 7.5808 11.3121 9.46802 numMergedOcc 0
32 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 7.5808 11.3121 13.1129 numMergedOcc 0
33 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 7.5808 13.5418 9.46802 numMergedOcc 0
34 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 7.5808 13.5418 13.1129 numMergedOcc 0
35 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 7.5808 7.74459 9.46802 numMergedOcc 0
36 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 7.5808 7.74459 13.1129 numMergedOcc 0
37 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 7.5808 4.53638 9.46802 numMergedOcc 0
38 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 7.5808 4.53638 13.1129 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 8.57781 3.56689 4.67513 numMergedOcc 0
40 mol 226 unq 0 iso 0 dist 7.20862 8.74399 12.3908 8.31266 13.7904 5.27153 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 9.67162 4.8226 10.7395 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 7.98794 3.80345 7.26668 numMergedOcc 0
43 mol 255 unq 0 iso 0 dist 9.72048 7.57779 9.92518 7.58813 9.02405 8.06922 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.6327 6.49094 8.78474 numMergedOcc 0
45 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 9.6327 6.49094 11.3267 numMergedOcc 0
46 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 9.6327 8.08023 8.78474 numMergedOcc 0
47 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 9.6327 8.08023 11.3267 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 8.91916 8.54422 6.40534 8.40328 10.2743 11.0103 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 8.91916 8.54422 6.40534 8.2518 11.46 10.099 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 8.91916 7.67473 9.57286 8.40328 10.2743 8.71577 numMergedOcc 0
51 mol 259 unq 3 iso 0 dist 8.91916 7.67473 9.57286 8.2518 11.46 6.47425 numMergedOcc 0
52 mol 259 unq 4 iso 0 dist 4.55368 8.54422 6.14631 8.40328 7.06301 11.0103 numMergedOcc 0
53 mol 259 unq 5 iso 0 dist 4.55368 8.54422 6.14631 8.2518 7.80863 10.099 numMergedOcc 0
54 mol 259 unq 6 iso 0 dist 4.55368 7.67473 6.89689 8.40328 7.06301 8.71577 numMergedOcc 0
55 mol 259 unq 7 iso 0 dist 4.55368 7.67473 6.89689 8.2518 7.80863 6.47425 numMergedOcc 0
56 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 8.62843 11.9611 9.70494 numMergedOcc 0
57 mol 266 unq 1 iso 0 dist 9.63694 6.57444 13.1376 8.95841 6.96111 10.6488 numMergedOcc 0
58 mol 266 unq 2 iso 0 dist 9.63694 7.9555 14.6225 8.95841 6.96111 9.70494 numMergedOcc 0
59 mol 266 unq 3 iso 0 dist 6.58277 6.57444 5.91091 8.95841 11.8531 10.6488 numMergedOcc 0
60 mol 266 unq 4 iso 0 dist 6.58277 7.9555 3.93133 8.95841 11.8531 9.70494 numMergedOcc 0
61 mol 266 unq 5 iso 0 dist 8.42706 8.8646 3.93133 8.62843 11.8531 9.70494 numMergedOcc 0
62 mol 283 unq 0 iso 0 dist 7.53773 9.243 6.85055 9.83098 14.4652 13.1215 numMergedOcc 0
63 mol 283 unq 1 iso 0 dist 8.3815 5.71075 4.87508 9.19367 8.97643 5.62752 numMergedOcc 0
64 mol 283 unq 2 iso 0 dist 7.13925 5.71075 7.75306 9.19367 11.6244 5.62752 numMergedOcc 0
65 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 numMergedOcc 0
66 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 numMergedOcc 0
67 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 numMergedOcc 0
68 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 numMergedOcc 0
69 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.19568 7.23485 3.85958 numMergedOcc 0
70 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 7.19568 7.23485 5.93557 numMergedOcc 0
71 mol 292 unq 0 iso 0 dist 9.57857 5.83342 6.00343 9.53621 7.41522 4.65271 numMergedOcc 0
72 mol 292 unq 1 iso 0 dist 9.57857 5.83342 6.00343 9.24101 11.2641 5.90311 numMergedOcc 0
