0 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 5.99355 5.72491 5.44992 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.76292 6.56335 10.454 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 6.76292 6.56335 6.70071 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.46752 8.02077 8.71745 6.76292 6.56335 4.50891 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 9.70283 8.64015 11.0904 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.46655 6.32263 9.21998 9.70283 8.64015 12.9211 numMergedOcc 0
10 mol 71 unq 0 iso 0 dist 8.21553 5.87956 7.38797 11.7226 7.77916 6.6504 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 5.67493 7.04044 15.7304 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 5.79954 9.65653 9.75218 5.67493 7.04044 8.35241 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 7.01889 7.9573 9.38498 11.2215 7.04044 15.7304 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 numMergedOcc 0
17 mol 73 unq 6 iso 0 dist 7.01889 8.11922 9.75218 11.2215 7.04044 8.35241 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 5.51584 6.47042 10.0814 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 5.81552 10.626 9.60462 7.79791 8.729 11.0629 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 5.81552 5.27363 7.45389 7.79791 8.729 5.48848 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 4.64486 5.74857 6.08806 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 4.64486 5.74857 7.21418 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 11.5403 5.53031 5.35679 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 11.5403 5.53031 8.46636 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.1239 8.41611 12.7056 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 14.3979 7.63338 12.8872 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 9.05442 9.03707 7.76364 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 7.5984 5.11989 5.99315 12.1804 7.25673 9.23795 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 4.97043 7.20392 5.93488 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 8.19136 7.20574 8.90184 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 8.88762 6.85302 8.90184 numMergedOcc 0
32 mol 186 unq 2 iso 0 dist 6.86297 8.03427 8.87694 7.55335 9.98215 12.8303 numMergedOcc 0
33 mol 186 unq 3 iso 0 dist 6.86297 7.56632 9.09754 8.88762 6.85302 4.37002 numMergedOcc 0
34 mol 186 unq 4 iso 0 dist 6.86297 7.56632 9.09754 7.55335 9.98215 4.64235 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 12.0796 6.85441 8.17229 numMergedOcc 0
36 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 12.0796 6.85441 5.74707 numMergedOcc 0
37 mol 206 unq 0 iso 0 dist 7.10166 5.15743 8.02137 9.72247 8.70977 6.3188 numMergedOcc 0
38 mol 206 unq 1 iso 0 dist 7.10166 13.609 9.774 9.72247 8.70977 9.9412 numMergedOcc 0
39 mol 206 unq 2 iso 0 dist 9.66896 15.7773 8.02137 12.2373 8.70977 6.3188 numMergedOcc 0
40 mol 206 unq 3 iso 0 dist 9.66896 12.0196 9.774 12.2373 8.70977 9.9412 numMergedOcc 0
41 mol 210 unq 0 iso 0 dist 6.53736 11.5481 6.18308 5.06201 5.37446 9.59996 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 8.18851 8.72811 6.18308 6.66834 5.37446 9.59996 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 12.2978 6.38157 7.38025 numMergedOcc 0
44 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 12.2978 6.38157 9.35273 numMergedOcc 0
45 mol 214 unq 2 iso 0 dist 9.40003 16.922 8.85478 12.2978 6.38157 5.63388 numMergedOcc 0
46 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 11.7781 6.38157 7.38025 numMergedOcc 0
47 mol 214 unq 4 iso 0 dist 8.68385 12.5421 7.14453 11.7781 6.38157 9.35273 numMergedOcc 0
48 mol 214 unq 5 iso 0 dist 8.68385 9.18071 8.85478 11.7781 6.38157 5.63388 numMergedOcc 0
49 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 5.41948 5.45036 6.17628 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 15.1445 9.97586 14.0253 numMergedOcc 0
51 mol 220 unq 2 iso 0 dist 8.9077 15.396 8.24498 5.41948 5.45036 10.4136 numMergedOcc 0
52 mol 220 unq 3 iso 0 dist 8.9077 15.396 8.24498 15.1445 9.97586 6.20511 numMergedOcc 0
53 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 10.5003 8.48341 6.03524 numMergedOcc 0
54 mol 222 unq 1 iso 0 dist 7.27481 5.90074 7.54212 10.5003 8.48341 7.60395 numMergedOcc 0
55 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 6.33419 6.13306 6.52273 numMergedOcc 0
56 mol 223 unq 1 iso 0 dist 9.94212 13.1422 8.6166 6.33419 6.13306 7.12885 numMergedOcc 0
57 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 6.23345 8.37597 6.77927 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 6.23345 8.37597 4.59567 numMergedOcc 0
59 mol 229 unq 0 iso 0 dist 8.0007 5.29674 9.87838 7.57247 5.77318 7.7339 numMergedOcc 0
60 mol 230 unq 0 iso 0 dist 8.33847 7.37154 6.7547 5.02022 6.41286 6.20661 numMergedOcc 0
61 mol 230 unq 1 iso 0 dist 9.12305 9.0274 6.7547 9.81615 6.41286 6.20661 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.4535 7.83711 8.25884 numMergedOcc 0
63 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 7.05684 8.50331 7.22918 numMergedOcc 0
64 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 7.05684 8.50331 9.05842 numMergedOcc 0
65 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 7.05684 8.50331 7.00028 numMergedOcc 0
66 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 4.01898 6.17052 5.99459 numMergedOcc 0
67 mol 253 unq 0 iso 0 dist 8.53729 16.1265 9.02271 4.60689 7.77998 13.6942 numMergedOcc 0
68 mol 253 unq 1 iso 0 dist 8.07341 16.581 9.02271 9.18036 7.77998 13.6942 numMergedOcc 0
69 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 11.517 7.99477 7.42673 numMergedOcc 0
70 mol 258 unq 1 iso 0 dist 7.9357 8.73372 6.42289 5.04382 7.86627 6.44209 numMergedOcc 0
71 mol 258 unq 2 iso 0 dist 8.81059 9.78068 6.42289 15.4617 7.99477 7.42673 numMergedOcc 0
72 mol 258 unq 3 iso 0 dist 8.81059 9.78068 6.42289 11.0527 7.86627 6.44209 numMergedOcc 0
73 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 11.2562 8.60026 6.04016 numMergedOcc 0
74 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 13.4429 8.60026 6.04016 numMergedOcc 0
75 mol 272 unq 0 iso 0 dist 8.82094 4.78295 8.48753 9.7816 9.05222 6.59863 numMergedOcc 0
76 mol 272 unq 1 iso 0 dist 9.80332 8.26567 8.48753 11.6389 9.05222 6.59863 numMergedOcc 0
77 mol 272 unq 2 iso 0 dist 6.62923 11.9042 9.97651 14.4134 9.19033 10.26 numMergedOcc 0
78 mol 272 unq 3 iso 0 dist 6.62923 5.27123 8.46116 14.4134 9.19033 13.5034 numMergedOcc 0
