0 mol 1 unq 0 iso 0 dist 8.93702 5.99543 8.56884 7.48521 5.96833 4.50502 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 16.3136 8.81608 6.88805 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.34656 6.3236 9.36807 16.3136 8.81608 13.156 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.25905 7.43559 8.52106 16.1629 9.35863 11.5747 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.25905 7.43559 8.52106 6.82841 5.04478 6.11048 numMergedOcc 0
5 mol 18 unq 2 iso 0 dist 8.25905 10.1793 6.32451 16.1629 9.35863 6.96996 numMergedOcc 0
6 mol 18 unq 3 iso 0 dist 8.25905 10.1793 6.32451 6.82841 5.04478 4.52259 numMergedOcc 0
7 mol 20 unq 0 iso 0 dist 8.71628 6.98731 6.4934 5.06894 5.9809 5.48225 numMergedOcc 0
8 mol 20 unq 1 iso 0 dist 8.71628 6.98731 6.4934 9.95303 5.83917 9.03258 numMergedOcc 0
9 mol 20 unq 2 iso 0 dist 8.71628 12.0498 6.93199 5.06894 5.9809 7.06175 numMergedOcc 0
10 mol 20 unq 3 iso 0 dist 8.71628 12.0498 6.93199 9.95303 5.83917 3.79581 numMergedOcc 0
11 mol 21 unq 0 iso 0 dist 4.82549 6.5268 6.08338 10.0518 9.35562 14.0241 numMergedOcc 0
12 mol 21 unq 1 iso 0 dist 4.82549 6.5268 6.08338 6.53652 8.63857 4.20001 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 5.97065 7.89671 8.82012 4.18634 5.84066 5.56139 numMergedOcc 0
14 mol 26 unq 1 iso 0 dist 5.97065 10.1933 9.16962 4.18634 5.84066 8.25132 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 9.40904 9.02503 8.67367 13.5243 9.51318 10.2625 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.40904 9.02503 8.67367 16.038 9.84457 10.2496 numMergedOcc 0
17 mol 95 unq 2 iso 0 dist 6.47401 7.94986 8.67367 13.573 9.51318 10.2625 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 6.47401 7.94986 8.67367 14.6933 9.84457 10.2496 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.94447 12.7099 6.81812 11.2557 5.29949 8.50705 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 9.02908 8.0168 6.63111 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 10.6053 8.7789 5.42561 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 6.35364 8.50279 7.75534 13.8413 9.93613 10.7549 numMergedOcc 0
23 mol 126 unq 2 iso 0 dist 6.35364 5.68478 9.06011 10.6053 8.7789 7.47528 numMergedOcc 0
24 mol 126 unq 3 iso 0 dist 6.35364 5.68478 9.06011 13.8413 9.93613 11.9496 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 13.2035 9.10003 14.8533 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 7.13287 5.01665 7.31468 9.1255 7.05845 7.63293 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 7.13287 4.9475 7.7056 9.1255 7.05845 11.903 numMergedOcc 0
28 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 4.33327 7.29911 4.91785 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 7.09847 4.59843 9.52936 11.9266 7.59939 13.8904 numMergedOcc 0
30 mol 184 unq 1 iso 0 dist 7.09847 5.66847 9.15417 11.9266 7.59939 10.3179 numMergedOcc 0
31 mol 197 unq 0 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 4.80429 7.18317 6.0965 5.36933 8.65196 10.1881 numMergedOcc 0
33 mol 213 unq 1 iso 0 dist 6.38872 7.17515 8.45368 5.36933 5.461 4.72944 numMergedOcc 0
34 mol 213 unq 2 iso 0 dist 6.38872 7.18317 9.59129 5.36933 5.461 10.1881 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 7.89694 7.82717 9.50586 6.27279 9.59426 13.7327 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 5.66171 12.0404 7.17547 6.27279 8.61306 15.6802 numMergedOcc 0
37 mol 218 unq 2 iso 0 dist 5.66171 7.82717 7.13323 6.27279 8.61306 13.7327 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 7.83547 5.63642 7.82944 6.70989 8.98681 10.9161 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 6.31342 6.9955 5.50387 4.94099 5.93063 4.7456 numMergedOcc 0
40 mol 228 unq 0 iso 0 dist 9.79291 11.2222 9.06121 14.2513 8.66946 9.80263 numMergedOcc 0
41 mol 228 unq 1 iso 0 dist 9.79291 11.2222 9.06121 11.0879 8.55761 4.63053 numMergedOcc 0
42 mol 233 unq 0 iso 0 dist 5.34745 11.2101 9.43203 6.49444 8.24424 8.59528 numMergedOcc 0
43 mol 233 unq 1 iso 0 dist 5.34745 11.2101 9.43203 6.63339 7.0942 5.43315 numMergedOcc 0
44 mol 233 unq 2 iso 0 dist 5.34745 11.2101 9.43203 9.86764 6.01775 6.8325 numMergedOcc 0
45 mol 233 unq 3 iso 0 dist 7.99897 11.5105 9.43203 9.1334 8.24424 8.59528 numMergedOcc 0
46 mol 233 unq 4 iso 0 dist 7.99897 11.5105 9.43203 9.81222 7.0942 5.43315 numMergedOcc 0
47 mol 233 unq 5 iso 0 dist 7.99897 11.5105 9.43203 5.17683 6.01775 6.8325 numMergedOcc 0
48 mol 233 unq 6 iso 0 dist 8.98366 6.54297 9.43203 12.3327 8.24424 8.59528 numMergedOcc 0
49 mol 233 unq 7 iso 0 dist 8.98366 6.54297 9.43203 8.89879 7.0942 5.43315 numMergedOcc 0
50 mol 233 unq 8 iso 0 dist 8.98366 6.54297 9.43203 9.7363 6.01775 6.8325 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 16.363 9.11572 13.1872 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 9.94369 7.02029 13.7306 numMergedOcc 0
53 mol 235 unq 1 iso 0 dist 9.24964 6.38281 9.43058 9.94369 7.02029 7.31605 numMergedOcc 0
54 mol 235 unq 2 iso 0 dist 9.24964 10.6146 8.75735 9.94369 7.02029 4.12497 numMergedOcc 0
55 mol 235 unq 3 iso 0 dist 9.24964 14.8599 6.98084 9.94369 7.02029 8.26028 numMergedOcc 0
56 mol 235 unq 4 iso 0 dist 9.24964 16.2392 7.32211 9.94369 7.02029 10.7187 numMergedOcc 0
57 mol 235 unq 5 iso 0 dist 5.71896 6.01036 9.58736 7.91326 7.02029 13.7306 numMergedOcc 0
58 mol 235 unq 6 iso 0 dist 5.71896 4.99641 9.43058 7.91326 7.02029 7.31605 numMergedOcc 0
59 mol 235 unq 7 iso 0 dist 5.71896 7.72505 8.75735 7.91326 7.02029 4.12497 numMergedOcc 0
60 mol 235 unq 8 iso 0 dist 5.71896 12.2179 6.98084 7.91326 7.02029 8.26028 numMergedOcc 0
61 mol 235 unq 9 iso 0 dist 5.71896 11.7282 7.32211 7.91326 7.02029 10.7187 numMergedOcc 0
62 mol 235 unq 10 iso 0 dist 8.3229 17.1296 9.58736 5.72513 7.02029 13.7306 numMergedOcc 0
63 mol 235 unq 11 iso 0 dist 8.3229 12.86 9.43058 5.72513 7.02029 7.31605 numMergedOcc 0
64 mol 235 unq 12 iso 0 dist 8.3229 9.39763 8.75735 5.72513 7.02029 4.12497 numMergedOcc 0
65 mol 235 unq 13 iso 0 dist 8.3229 4.29928 6.98084 5.72513 7.02029 8.26028 numMergedOcc 0
66 mol 235 unq 14 iso 0 dist 8.3229 10.1212 7.32211 5.72513 7.02029 10.7187 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 9.07397 14.2669 7.67322 13.4501 7.39547 5.71717 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 8.91763 12.0885 7.67322 8.28104 7.39547 5.71717 numMergedOcc 0
69 mol 267 unq 0 iso 0 dist 6.87713 11.9598 8.76007 5.30771 6.32877 11.5903 numMergedOcc 0
70 mol 267 unq 1 iso 0 dist 6.87713 11.9598 8.76007 7.81198 9.48115 9.15724 numMergedOcc 0
71 mol 267 unq 2 iso 0 dist 6.87713 11.9598 8.76007 14.1912 8.38545 5.65969 numMergedOcc 0
72 mol 267 unq 3 iso 0 dist 6.87713 11.9598 8.76007 10.6273 5.08174 9.22276 numMergedOcc 0
73 mol 267 unq 4 iso 0 dist 6.87713 11.9598 8.76007 11.0675 6.10838 6.06209 numMergedOcc 0
74 mol 267 unq 5 iso 0 dist 8.87518 9.77423 8.76007 11.6034 6.32877 11.5903 numMergedOcc 0
75 mol 267 unq 6 iso 0 dist 8.87518 9.77423 8.76007 12.9552 9.48115 9.15724 numMergedOcc 0
76 mol 267 unq 7 iso 0 dist 8.87518 9.77423 8.76007 5.23612 8.38545 5.65969 numMergedOcc 0
77 mol 267 unq 8 iso 0 dist 8.87518 9.77423 8.76007 10.1261 5.08174 9.22276 numMergedOcc 0
78 mol 267 unq 9 iso 0 dist 8.87518 9.77423 8.76007 9.74815 6.10838 6.06209 numMergedOcc 0
79 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 13.4399 8.84523 5.12237 numMergedOcc 0
80 mol 272 unq 1 iso 0 dist 6.27189 9.92738 7.67853 5.87335 6.95241 5.41667 numMergedOcc 0
81 mol 274 unq 0 iso 0 dist 8.38395 6.45522 9.19234 11.3961 6.66172 8.87855 numMergedOcc 0
